(-)-YM796
| SMILES | CN1CCC2(CC1)CC(=C)[C@H](O2)C |
| InChIKey | HDTOQYUZMCNTBZ-SNVBAGLBSA-N |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 0 |
| Molecular weight (Da) | 181.1 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 6.3 | 6.4 | 6.5 | Guide to Pharmacology |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.5 | 6.5 | 6.5 | Guide to Pharmacology |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.2 | 7.2 | 7.2 | Guide to Pharmacology |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 5.2 | 5.2 | 5.2 | Guide to Pharmacology |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 5.8 | 5.8 | 5.8 | Guide to Pharmacology |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 5.4 | 5.7 | 6.0 | Guide to Pharmacology |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 6.0 | 6.1 | 6.2 | Guide to Pharmacology |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 3.9 | 3.9 | 3.9 | Guide to Pharmacology |
| β2 | ADRB2 | Rat | Adrenoceptors | A | pKi | 6.14 | 6.14 | 6.14 | ChEMBL |
| β2 | ADRB2 | Dog | Adrenoceptors | A | pKi | 5.96 | 6.07 | 6.18 | ChEMBL |
| β1 | ADRB1 | Rat | Adrenoceptors | A | pKi | 5.68 | 5.85 | 5.96 | ChEMBL |
| β1 | B0FL73 | Guinea pig | Adrenoceptors | A | pKi | 5.52 | 5.52 | 5.52 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 5.7 | 5.7 | 5.7 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pKd | 4.26 | 4.26 | 4.26 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT2A | 5HT2A | Bovine | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 5.2 | 5.89 | 6.59 | PDSP Ki database |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.19 | 6.19 | 6.19 | PDSP Ki database |
| α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 6.26 | 6.26 | 6.26 | PDSP Ki database |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 5.46 | 5.81 | 6.13 | PDSP Ki database |
| α2A | ADA2A | Pig | Adrenoceptors | A | pKi | 6.19 | 6.19 | 6.19 | PDSP Ki database |
| α1A | Q9TSW7 | Pig | Adrenoceptors | A | pKi | 5.4 | 5.4 | 5.4 | PDSP Ki database |
| D2 | DRD2 | Bovine | Dopamine | A | pKi | 5.59 | 5.59 | 5.59 | PDSP Ki database |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 5.4 | 5.4 | 5.4 | PDSP Ki database |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 5.77 | 5.77 | 5.77 | PDSP Ki database |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 5.83 | 5.83 | 5.83 | PDSP Ki database |
| α2A | ADA2A | Mouse | Adrenoceptors | A | pKi | 6.41 | 6.41 | 6.41 | PDSP Ki database |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 8.27 | 8.27 | 8.27 | Drug Central |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKd | 8.21 | 8.21 | 8.21 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| μ | OPRM | Rat | Opioid | A | pKi | 8.27 | 8.27 | 8.27 | Drug Central |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| β2 | ADRB2 | Rat | Adrenoceptors | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| β1 | ADRB1 | Rat | Adrenoceptors | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| β2 | ADRB2 | Dog | Adrenoceptors | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.66 | 6.66 | 6.66 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.56 | 6.68 | 6.8 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 5.8 | 6.6 | 7.4 | Guide to Pharmacology |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.4 | 6.4 | 6.4 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.45 | 6.45 | 6.45 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 6.44 | 6.58 | 6.71 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKd | 6.2 | 6.2 | 6.2 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pKd | 8.37 | 8.37 | 8.37 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pKi | 6.04 | 6.04 | 6.04 | ChEMBL |
| α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 6.3 | 6.3 | 6.3 | Guide to Pharmacology |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 5.33 | 5.33 | 5.33 | PDSP Ki database |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 6.01 | 6.01 | 6.01 | ChEMBL |
| D1 | DRD1 | Bovine | Dopamine | A | pKi | 6.55 | 6.55 | 6.55 | PDSP Ki database |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 6.59 | 6.59 | 6.59 | ChEMBL |
| 5-HT2C | 5HT2C | Mouse | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT1D | F1MMU1 | Bovine | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| β1 | B0FL73 | Guinea pig | Adrenoceptors | A | pKi | 8.26 | 8.26 | 8.26 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β1 | B0FL73 | Guinea pig | Adrenoceptors | A | pEC50 | 6.36 | 6.92 | 7.82 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pEC50 | 6.4 | 6.4 | 6.4 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 8.21 | 8.21 | 8.21 | Drug Central |
| α1B | ADA1B | Human | Adrenoceptors | A | pEC50 | 7.12 | 7.12 | 7.12 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 6.35 | 6.35 | 6.35 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pEC50 | 7.52 | 7.52 | 7.52 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 6.13 | 6.13 | 6.13 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 6.06 | 6.06 | 6.06 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 5.61 | 5.61 | 5.61 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 6.54 | 6.54 | 6.54 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 6.55 | 6.55 | 6.55 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 5.86 | 5.86 | 5.86 | ChEMBL |
| β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 7.31 | 7.41 | 7.51 | ChEMBL |
| RXFP1 | RXFP1 | Human | Relaxin family peptide | A | Potency | 4.7 | 4.7 | 4.7 | ChEMBL |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.5 | 4.5 | 4.5 | ChEMBL |
| α1B | ADA1B | Rat | Adrenoceptors | A | pIC50 | 5.75 | 5.75 | 5.75 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 6.2 | 6.2 | 6.2 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 4.55 | 4.55 | 4.55 | ChEMBL |
| β2 | ADRB2 | Guinea pig | Adrenoceptors | A | pEC50 | 6.36 | 7.09 | 7.82 | ChEMBL |