CHEMBL262992
SMILES | CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)O |
InChIKey | KXIGBLDYAYPKEM-IMAVANOCSA-N |
Chemical properties
Hydrogen bond acceptors | 12 |
Hydrogen bond donors | 11 |
Rotatable bonds | 31 |
Molecular weight (Da) | 1105.6 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
BB1 | NMBR | Human | Bombesin | A | pEC50 | 6.51 | 6.51 | 6.51 | ChEMBL |
BB2 | GRPR | Human | Bombesin | A | pEC50 | 7.08 | 7.08 | 7.08 | ChEMBL |
BB3 | BRS3 | Human | Bombesin | A | pEC50 | 6.82 | 6.82 | 6.82 | ChEMBL |