CHEMBL237082
SMILES | CN1CCN(CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)CCCCC2)CC1 |
InChIKey | YOLJRQHQYDNGJH-MHZLTWQESA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 3 |
Rotatable bonds | 11 |
Molecular weight (Da) | 589.3 |
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 | 7.0 | 7.0 | 7.0 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |