CHEMBL6003924 [449367]
CHEMBL6003924
| SMILES | CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)CN(c1cnc(-c3ccc(C#N)cc3)nc1)C(=O)N2 |
| InChIKey | KNYCKNQTWLYKLN-MKPDMIMOSA-N |
Chemical Properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Log P | 4.315 |
| Molecular weight (Da) | 452.2 |
| Stereochemistry info | unspecified |
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 |
CHEMBL6003924
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