YM 471
SMILES | CN(C1CCN(CC1)C(=O)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1)C |
InChIKey | ICRPTZMWRJGNQI-CLIDGEQKSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 648.3 |
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 |
V1A | V1AR | Rat | Vasopressin and oxytocin | A | pKi | 9.21 | 9.51 | 9.8 | ChEMBL |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKi | 8.9 | 8.9 | 8.9 | Guide to Pharmacology |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 9.21 | 9.21 | 9.21 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 9.2 | 9.2 | 9.2 | Guide to Pharmacology |
V1B | V1BR | Human | Vasopressin and oxytocin | A | pKi | 4.8 | 4.8 | 4.8 | Guide to Pharmacology |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKi | 8.92 | 8.92 | 8.92 | ChEMBL |
V2 | V2R | Rat | Vasopressin and oxytocin | A | pKi | 8.92 | 9.02 | 9.11 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |