AC-7954
| SMILES | CN(CCC1(OC(=O)c2c(C1)cccc2)c1ccc(cc1)Cl)C |
| InChIKey | HIVBATDUVFEJFZ-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 329.1 |
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 |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.6 | 8.6 | 8.6 | Guide to Pharmacology |
| H1 | HRH1 | Guinea pig | Histamine | A | pKd | 9.5 | 9.5 | 9.5 | ChEMBL |
| H1 | HRH1 | Guinea pig | Histamine | A | pKi | 9.51 | 9.51 | 9.51 | ChEMBL |
| H4 | HRH4 | Human | Histamine | A | pKi | 4.68 | 4.68 | 4.68 | ChEMBL |
| H2 | HRH2 | Human | Histamine | A | pKi | 5.39 | 5.39 | 5.39 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 9.8 | 9.83 | 9.86 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 6.33 | 6.33 | 6.33 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.5 | 7.52 | 7.54 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 6.53 | 6.53 | 6.53 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pKi | 6.36 | 6.36 | 6.36 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 5.84 | 5.84 | 5.84 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 6.57 | 6.57 | 6.57 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 6.28 | 6.28 | 6.28 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| D1 | DRD1 | Human | Dopamine | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.02 | 8.02 | 8.02 | Drug Central |
| H1 | HRH1 | Guinea pig | Histamine | A | pKi | 8.02 | 8.02 | 8.02 | Drug Central |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.8 | 7.93 | 8.05 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.7 | 6.89 | 7.08 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 6.85 | 6.85 | 6.85 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 6.57 | 6.57 | 6.57 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 5.74 | 5.74 | 5.74 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.09 | 6.09 | 6.09 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.49 | 6.49 | 6.49 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 6.18 | 6.18 | 6.18 | ChEMBL |
| H2 | HRH2 | Human | Histamine | A | pKi | 8.27 | 8.27 | 8.27 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 6.0 | 6.38 | 6.75 | ChEMBL |
| H4 | HRH4 | Human | Histamine | A | pIC50 | 4.68 | 4.68 | 4.68 | ChEMBL |
| H2 | HRH2 | Human | Histamine | A | pIC50 | 5.38 | 5.38 | 5.38 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pIC50 | 5.64 | 7.64 | 9.0 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.66 | 5.66 | 5.66 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 7.34 | 7.34 | 7.34 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.08 | 6.08 | 6.08 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pIC50 | 6.06 | 6.06 | 6.06 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 5.6 | 5.6 | 5.6 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.95 | 5.95 | 5.95 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pIC50 | 5.94 | 5.94 | 5.94 | ChEMBL |
| H4 | HRH4 | Human | Histamine | A | pIC50 | 8.33 | 8.33 | 8.33 | Drug Central |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.25 | 8.25 | 8.25 | Drug Central |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 7.51 | 7.51 | 7.51 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 6.8 | 6.8 | 6.8 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.0 | 6.0 | 6.0 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.43 | 6.43 | 6.43 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 5.43 | 5.43 | 5.43 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 5.66 | 5.66 | 5.66 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 6.15 | 6.15 | 6.15 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 5.71 | 5.71 | 5.71 | ChEMBL |
| NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 5.0 | 5.0 | 5.0 | ChEMBL |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 5.4 | 5.4 | 5.4 | ChEMBL |