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 |