CHEMBL3948779 [296493]
CHEMBL3948779
| SMILES | CC(=O)c1ccc2[nH]c(-c3nc(C(F)(F)F)sc3N3CCN(C(=O)Cn4cnc5cccnc54)[C@H](C)C3)nc2c1 |
| InChIKey | LPGKOZKGEFZZDI-CQSZACIVSA-N |
Chemical Properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Log P | 4.390 |
| Molecular weight (Da) | 568.2 |
| Stereochemistry info | full |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
CHEMBL3948779
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0