WAY-100635
| SMILES | COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1 |
| InChIKey | SBPRIAGPYFYCRT-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 422.3 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
| Ligand site mutations | 5-HT1A |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.9 | 8.55 | 9.2 | Guide to Pharmacology |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKd | 9.5 | 9.5 | 9.5 | Guide to Pharmacology |
| D4 | DRD4 | Human | Dopamine | A | pKi | 7.8 | 7.8 | 7.8 | Guide to Pharmacology |
| 5-HT1D | 5HT1D | Mouse | 5-Hydroxytryptamine | A | pKi | 8.96 | 9.21 | 9.47 | ChEMBL |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 7.62 | 7.62 | 7.62 | ChEMBL |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.49 | 6.95 | 7.18 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.3 | 8.33 | 8.34 | ChEMBL |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | ChEMBL |
| D4 | DRD4 | Human | Dopamine | A | pKi | 7.28 | 7.63 | 7.8 | ChEMBL |
| D4 | DRD4 | Human | Dopamine | A | pKd | 8.62 | 8.62 | 8.62 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.7 | 7.72 | 7.73 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKd | 9.69 | 9.84 | 10.0 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 9.08 | 9.19 | 9.3 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.62 | 7.62 | 7.62 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.66 | 9.24 | 9.8 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKd | 9.7 | 9.7 | 9.7 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.92 | 9.01 | 9.05 | PDSP Ki database |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.48 | 6.48 | 6.48 | PDSP Ki database |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.52 | 5.52 | 5.52 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 4.7 | 4.7 | 4.7 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.38 | 8.78 | 9.43 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pEC50 | 8.15 | 8.15 | 8.15 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pIC50 | 7.43 | 8.33 | 9.04 | ChEMBL |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.4 | 4.4 | 4.4 | ChEMBL |