YM 218
SMILES | O=C(N1CCC(CC1)N1CCCCC1)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccoc1C |
InChIKey | VDUUABBYYOPFAW-WMMMYUQOSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 616.3 |
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 |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 9.5 | 9.5 | 9.5 | Guide to Pharmacology |
V1B | V1BR | Human | Vasopressin and oxytocin | A | pKi | 4.6 | 4.6 | 4.6 | Guide to Pharmacology |
V1B | V1BR | Human | Vasopressin and oxytocin | A | pKi | 4.59 | 4.59 | 4.59 | ChEMBL |
OT | OXYR | Human | Vasopressin and oxytocin | A | pKi | 7.15 | 7.15 | 7.15 | ChEMBL |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKi | 6.42 | 6.42 | 6.42 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 9.52 | 9.52 | 9.52 | ChEMBL |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKi | 6.4 | 6.4 | 6.4 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |