L-367,773
SMILES | O=C(Cc1cnc[nH]1)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCC2(CC1)CCc1c2cccc1)(C)C |
InChIKey | VQAVBHLGXVZOKM-RASJMTDNSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 6 |
Molecular weight (Da) | 510.3 |
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 |
OT | OXYR | Human | Vasopressin and oxytocin | A | pKi | 7.6 | 7.6 | 7.6 | Guide to Pharmacology |
OT | OXYR | Human | Vasopressin and oxytocin | A | pKi | 7.21 | 7.21 | 7.21 | ChEMBL |
OT | OXYR | Rat | Vasopressin and oxytocin | A | pKi | 7.58 | 7.58 | 7.58 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
V2 | V2R | Rat | Vasopressin and oxytocin | A | pIC50 | 4.77 | 4.77 | 4.77 | ChEMBL |
OT | OXYR | Rat | Vasopressin and oxytocin | A | pIC50 | 7.28 | 7.28 | 7.28 | ChEMBL |