CHEMBL5994812 [448546]
CHEMBL5994812
| SMILES | COc1ccc(Oc2cc(CNC(=O)c3nc(N[C@@H](C)c4cncc(F)c4)nc4ccsc34)ccn2)cc1 |
| InChIKey | OMTBJGLETXYEJJ-INIZCTEOSA-N |
Chemical Properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 9 |
| Log P | 5.524 |
| Molecular weight (Da) | 530.2 |
| 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 |
CHEMBL5994812
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