CHEMBL1083865
| SMILES | Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](COCCC4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 |
| InChIKey | NQMPGNKDRXIWDH-MGBGTMOVSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 13 |
| Molecular weight (Da) | 645.4 |
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 |
| NK2 | NK2R | Human | Tachykinin | A | pKi | 9.3 | 9.3 | 9.3 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |