CHEMBL2113284
| SMILES | COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NC(=O)CCCN(CC#Cc2cccc(C#CCN(CCCC(=O)NC3CCN(CCOC(=O)c4cc(Cl)c(N)cc4OC)CC3)C(=O)OC(C)(C)C)c2)C(=O)OC(C)(C)C)CC1 |
| InChIKey | WHJGUHYWTPNQOR-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 16 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 22 |
| Molecular weight (Da) | 1174.5 |
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-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pKi | 8.1 | 8.1 | 8.1 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |