CHEMBL5835853 [414011]
CHEMBL5835853
| SMILES | CC1CNCC(c2sc(C(F)(F)F)cc2-c2cnc(C(F)(F)F)nc2)N1C(=O)Cn1cnc(CO)n1 |
| InChIKey | ZBPNDTOROQNHNG-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 5 |
| Log P | 2.888 |
| Molecular weight (Da) | 535.1 |
| Stereochemistry info | unspecified |
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 |
CHEMBL5835853
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