CHEMBL4239790 [330351]
CHEMBL4239790
| SMILES | O=C(N[C@@H](CCN1[C@@H]2CC[C@H]1C[C@H](n1c(C3CC3)nnc1C(F)(F)F)C2)c1ccsc1)C1CCC(F)(F)CC1 |
| InChIKey | BBOCMDNUKXGYBS-LRSLUSHPSA-N |
Chemical Properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 8 |
| Log P | 6.477 |
| Molecular weight (Da) | 571.2 |
| 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 |
CHEMBL4239790
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