BMS-986224
| SMILES | CCOCc1c(c(c(c(=O)[nH]1)c1nnc(o1)Cc1ncc(cc1)Cl)O)c1c(cccc1OC)OC |
| InChIKey | AGZKELPIAJYRDT-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 498.1 |
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 |
| apelin | APJ | Human | Apelin | A | pKd | 10.52 | 10.52 | 10.52 | Guide to Pharmacology |
| apelin | APJ | Human | Apelin | A | pKi | 10.13 | 10.13 | 10.13 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| apelin | APJ | Human | Apelin | A | pEC50 | 8.15 | 9.81 | 10.64 | ChEMBL |
| apelin | APJ | Mouse | Apelin | A | pEC50 | 10.57 | 10.57 | 10.57 | ChEMBL |