CHEMBL5948774 [444277]
CHEMBL5948774
| SMILES | CC1N=CC(C#CCn2cnc3c(c(-c4cc(C(N)=O)c(O)c(F)c4F)cn3CC(=O)Nc3cc(N4CCN(C)C[C@@H]4C)nc(F)c3Cl)c2=O)=N1 |
| InChIKey | PZSDRLMAHRPNHJ-BHWOMJMDSA-N |
Chemical Properties
| Hydrogen bond acceptors | 12 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 7 |
| Log P | 2.789 |
| Molecular weight (Da) | 722.2 |
| 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 |
CHEMBL5948774
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