CHEMBL5803616 [411068]
CHEMBL5803616
| SMILES | COc1ccc(N2CCC[C@@H](c3nc4c5cc(F)cc(OC)c5nc(N)n4n3)C2)cn1 |
| InChIKey | XKOYYBQSPAYHQL-GFCCVEGCSA-N |
Chemical Properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Log P | 2.795 |
| Molecular weight (Da) | 423.2 |
| 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 |
CHEMBL5803616
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