CHEMBL275935
SMILES | CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2C(=O)OC[C@@H]2C)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C3CCCC3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)c(Cl)c3)C(=O)O[C@]12C |
InChIKey | MASIMUDHAIYCMI-DEDQJDAQSA-N |
Chemical properties
Hydrogen bond acceptors | 14 |
Hydrogen bond donors | 1 |
Rotatable bonds | 10 |
Molecular weight (Da) | 967.4 |
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 |
LH | LSHR | Rat | Glycoprotein hormone | A | pKd | 9.87 | 9.87 | 9.87 | ChEMBL |
GnRH1 | GNRHR | Rat | Gonadotrophin-releasing hormone | A | pKi | 9.16 | 9.16 | 9.16 | ChEMBL |
GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pKi | 8.25 | 8.25 | 8.25 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |