CHEMBL264806
SMILES | CC(C)C[C@H]1C(=O)N[C@H](CCCN=C(N)N)C(=O)N2CCC[C@H]2C(=O)NCCC(=O)N2CC=C[C@H]2C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C |
InChIKey | CQKPXGVAVLVXKD-NFPVEMOBSA-N |
Chemical properties
Hydrogen bond acceptors | 13 |
Hydrogen bond donors | 13 |
Rotatable bonds | 15 |
Molecular weight (Da) | 1349.6 |
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 |
GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pKi | 7.85 | 7.85 | 7.85 | ChEMBL |
GnRH1 | GNRHR | Rat | Gonadotrophin-releasing hormone | A | pKi | 7.85 | 7.85 | 7.85 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |