lisuride
| SMILES | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC |
| InChIKey | BKRGVLQUQGGVSM-KBXCAEBGSA-N |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 338.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| H2 | HRH2 | Human | Histamine | A | pKi | 5.99 | 5.99 | 5.99 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.0 | 8.0 | 8.0 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 9.02 | 9.16 | 9.3 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.85 | 9.31 | 9.74 | PDSP Ki database |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.77 | 9.24 | 9.55 | PDSP Ki database |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 7.78 | 7.78 | 7.78 | PDSP Ki database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.16 | 9.08 | 9.83 | PDSP Ki database |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 7.73 | 7.77 | 7.8 | PDSP Ki database |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.16 | 7.74 | 9.13 | PDSP Ki database |
| D1 | DRD1 | Human | Dopamine | A | pKi | 7.2 | 7.2 | 7.2 | Guide to Pharmacology |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKd | 8.7 | 8.7 | 8.7 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 9.4 | 9.4 | 9.4 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 9.7 | 9.75 | 9.8 | Guide to Pharmacology |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 7.7 | 7.7 | 7.7 | Guide to Pharmacology |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 8.05 | 8.05 | 8.05 | Drug Central |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 7.0 | 9.01 | PDSP Ki database |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 9.0 | 9.0 | 9.0 | Guide to Pharmacology |
| 5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 7.35 | 7.35 | 7.35 | PDSP Ki database |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 9.06 | 9.06 | 9.06 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.6 | 8.6 | 8.6 | Guide to Pharmacology |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.07 | 8.07 | 8.07 | Drug Central |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.54 | 8.81 | 8.97 | PDSP Ki database |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.49 | 8.49 | 8.49 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.9 | 8.9 | 8.9 | Guide to Pharmacology |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 7.4 | 8.23 | PDSP Ki database |
| D1 | DRD1 | Human | Dopamine | A | pKi | 7.07 | 7.09 | 7.11 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.9 | 8.1 | 8.3 | Guide to Pharmacology |
| 5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 8.51 | 8.51 | 8.51 | PDSP Ki database |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.14 | 8.14 | 8.14 | PDSP Ki database |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.26 | 8.26 | 8.26 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.0 | 8.05 | 8.1 | Guide to Pharmacology |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 8.17 | 8.17 | 8.17 | PDSP Ki database |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.9 | 8.1 | 8.3 | Guide to Pharmacology |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.26 | 8.39 | 8.53 | PDSP Ki database |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.7 | 7.7 | 7.7 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.0 | 8.0 | 8.0 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 10.26 | 10.26 | 10.26 | PDSP Ki database |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 9.94 | 9.94 | 9.94 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 9.0 | 9.65 | 10.3 | Guide to Pharmacology |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.02 | 8.02 | 8.02 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 9.87 | 9.87 | 9.87 | PDSP Ki database |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 9.62 | 9.62 | 9.62 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.5 | 9.2 | 9.9 | Guide to Pharmacology |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 9.2 | 9.2 | 9.2 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 9.3 | 9.6 | 9.9 | Guide to Pharmacology |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 7.17 | 7.17 | 7.17 | PDSP Ki database |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 6.49 | 6.49 | 6.49 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 8.1 | 8.1 | 8.1 | PDSP Ki database |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 7.54 | 7.54 | 7.54 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
| D1 | DRD1 | Human | Dopamine | A | pKi | 7.19 | 7.19 | 7.19 | PDSP Ki database |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pKi | 9.2 | 9.35 | 9.5 | Guide to Pharmacology |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.06 | 8.06 | 8.06 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.77 | 9.62 | 10.23 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 9.6 | 9.6 | 9.6 | Guide to Pharmacology |
| D4 | DRD4 | Human | Dopamine | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
| D4 | DRD4 | Human | Dopamine | A | pKi | 8.34 | 8.34 | 8.34 | PDSP Ki database |
| D4 | DRD4 | Human | Dopamine | A | pKi | 8.3 | 8.3 | 8.3 | Guide to Pharmacology |
| D5 | DRD5 | Human | Dopamine | A | pKi | 8.07 | 8.07 | 8.07 | Drug Central |
| D5 | DRD5 | Human | Dopamine | A | pKi | 8.45 | 8.45 | 8.45 | PDSP Ki database |
| D5 | DRD5 | Human | Dopamine | A | pKi | 8.5 | 8.5 | 8.5 | Guide to Pharmacology |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| H1 | HRH1 | Human | Histamine | A | pKi | 7.72 | 7.72 | 7.72 | ChEMBL |
| H2 | HRH2 | Human | Histamine | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| 5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
| 5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 7.52 | 8.07 | 8.28 | PDSP Ki database |
| 5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 7.5 | 7.9 | 8.3 | Guide to Pharmacology |
| 5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 8.26 | 8.4 | 8.69 | PDSP Ki database |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 7.17 | 7.17 | 7.17 | ChEMBL |
| 5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 7.8 | 8.01 | 8.28 | PDSP Ki database |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 8.57 | 9.09 | 10.1 | PDSP Ki database |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 9.57 | 9.57 | 9.57 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 8.04 | 8.04 | 8.04 | ChEMBL |
| H1 | HRH1 | Guinea pig | Histamine | A | pKi | 7.46 | 7.46 | 7.46 | PDSP Ki database |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 6.65 | 6.65 | 6.65 | PDSP Ki database |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 8.34 | 8.34 | 8.34 | ChEMBL |
| 5-HT7 | 5HT7R | Guinea pig | 5-Hydroxytryptamine | A | pKi | 7.73 | 8.13 | 8.53 | PDSP Ki database |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 8.2 | 8.84 | 9.28 | PDSP Ki database |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 8.2 | 8.75 | 9.3 | Guide to Pharmacology |
| D2 | DRD2 | Rat | Dopamine | A | pKd | 8.02 | 8.02 | 8.02 | Drug Central |
| D2 | DRD2 | Rat | Dopamine | A | pKd | 8.64 | 9.2 | 9.52 | ChEMBL |
| 5-HT1D | F1MMU1 | Bovine | 5-Hydroxytryptamine | A | pKi | 7.5 | 7.51 | 7.51 | PDSP Ki database |
| 5-HT1A | A0A4X1UTF5 | Pig | 5-Hydroxytryptamine | A | pKi | 9.12 | 9.12 | 9.12 | PDSP Ki database |
| 5-HT2C | K7GSR7 | Pig | 5-Hydroxytryptamine | A | pKi | 7.7 | 7.71 | 7.71 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| H2 | HRH2 | Human | Histamine | A | pIC50 | 5.98 | 5.98 | 5.98 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pEC50 | 7.61 | 7.61 | 7.61 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 7.7 | 7.7 | 7.7 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pIC50 | 8.54 | 8.54 | 8.54 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pEC50 | 11.0 | 11.0 | 11.0 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pEC50 | 10.65 | 10.65 | 10.65 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 8.52 | 8.52 | 8.52 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 8.29 | 8.29 | 8.29 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pIC50 | 6.76 | 6.76 | 6.76 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pIC50 | 7.92 | 7.92 | 7.92 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 7.39 | 7.39 | 7.39 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 9.51 | 9.51 | 9.51 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 9.29 | 9.29 | 9.29 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 8.37 | 8.37 | 8.37 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 6.25 | 6.25 | 6.25 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 7.39 | 7.39 | 7.39 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 9.76 | 9.76 | 9.76 | ChEMBL |
| D4 | DRD4 | Human | Dopamine | A | pEC50 | 7.05 | 7.05 | 7.05 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pIC50 | 6.8 | 6.8 | 6.8 | ChEMBL |
| α1B | ADA1B | Rat | Adrenoceptors | A | pIC50 | 6.92 | 6.92 | 6.92 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.03 | 8.03 | 8.03 | Drug Central |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 9.33 | 9.33 | 9.33 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 8.12 | 8.12 | 8.12 | Drug Central |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 7.64 | 7.64 | 7.64 | ChEMBL |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.0 | 8.0 | 8.0 | ChEMBL |