CHEMBL6011627 [450095]
CHEMBL6011627
| SMILES | COc1ccccc1CN1CCC(CCNC(=O)N2[C@H](C)CN(c3ncc(C#N)cn3)C[C@@H]2C)CC1 |
| InChIKey | FZSVDUZQMRQWAX-OYRHEFFESA-N |
Chemical Properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Log P | 3.268 |
| Molecular weight (Da) | 491.3 |
| 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 |
CHEMBL6011627
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