CHEMBL337833
SMILES | NC(N)=NCCC[C@H](NC(=O)[C@H](N)CCCN=C(N)N)C(=O)NCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](C(=O)N1[C@@H](C(=O)O)C[C@H]2CCCC[C@H]21)C1Cc2ccccc2C1 |
InChIKey | NJIWDPIEEUPLLQ-GRVYSENZSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 11 |
Rotatable bonds | 29 |
Molecular weight (Da) | 924.6 |
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 |
B1 | BKRB1 | Rat | Bradykinin | A | pKd | 6.3 | 6.3 | 6.3 | ChEMBL |
B2 | BKRB2 | Guinea pig | Bradykinin | A | pKd | 6.0 | 6.0 | 6.0 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |