CHEMBL6002724 [449256]
CHEMBL6002724
| SMILES | COc1cnc([C@@H](C)[C@H](C)S(=O)(=O)Nc2nnc(-c3ccccc3Br)n2C2COC(C)(C)OC2)nc1 |
| InChIKey | AHDVACMBWRUGAW-GJZGRUSLSA-N |
Chemical Properties
| Hydrogen bond acceptors | 10 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 8 |
| Log P | 3.764 |
| Molecular weight (Da) | 580.1 |
| Stereochemistry info | partial |
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 |
CHEMBL6002724
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