(R,S)-IFENPRODIL
| SMILES | C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 |
| InChIKey | UYNVMODNBIQBMV-KKSFZXQISA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 325.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 6.29 | 6.29 | 6.29 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 6.85 | 6.85 | 6.85 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 5.8 | 5.8 | 5.8 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.02 | 7.02 | 7.02 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.13 | 6.13 | 6.13 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.38 | 6.38 | 6.38 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 4.9 | 5.0 | 5.1 | ChEMBL |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.9 | 5.05 | 5.2 | ChEMBL |