LIT-001
SMILES | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C |
InChIKey | AOPORIRPXVMWSL-DEOSSOPVSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 4 |
Molecular weight (Da) | 531.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKi | 5.78 | 5.78 | 5.78 | Guide to Pharmacology |
OT | OXYR | Human | Vasopressin and oxytocin | A | pKi | 6.65 | 6.65 | 6.65 | ChEMBL |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKi | 5.78 | 5.78 | 5.78 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 5.9 | 5.9 | 5.9 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 5.9 | 5.9 | 5.9 | Guide to Pharmacology |
OT | OXYR | Human | Vasopressin and oxytocin | A | pKi | 6.65 | 6.65 | 6.65 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
OT | OXYR | Mouse | Vasopressin and oxytocin | A | pEC50 | 7.75 | 7.75 | 7.75 | ChEMBL |
OT | OXYR | Human | Vasopressin and oxytocin | A | pEC50 | 7.21 | 7.36 | 7.6 | ChEMBL |
V2 | V2R | Human | Vasopressin and oxytocin | A | pEC50 | 6.18 | 6.79 | 7.39 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pIC50 | 5.23 | 5.96 | 7.0 | ChEMBL |