CHEMBL3084731 [213141]
CHEMBL3084731
| SMILES | Cc1nc2cccnc2n1[C@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](C(=O)NCc1ccc(F)cc1)c1ccccc1 |
| InChIKey | HUJMMKROGZIWHI-HFLBTKGNSA-N |
Chemical Properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 8 |
| Log P | 5.537 |
| Molecular weight (Da) | 511.3 |
| 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 |
CHEMBL3084731
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