CHEMBL32248
SMILES | NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 |
InChIKey | MOFIHHRIGQKWJP-DQEYMECFSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 4 |
Rotatable bonds | 10 |
Molecular weight (Da) | 484.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NK2 | NK2R | Golden hamster | Tachykinin | A | pIC50 | 5.28 | 5.28 | 5.28 | ChEMBL |
NK3 | NK3R | Human | Tachykinin | A | pIC50 | 5.03 | 5.03 | 5.03 | ChEMBL |
NK1 | NK1R | Human | Tachykinin | A | pIC50 | 5.03 | 5.21 | 5.38 | ChEMBL |