CHEMBL3577342 [239817]
CHEMBL3577342
| SMILES | C#CC1=CC[C@@H](N(CCC)CCCCNC(=O)c2ccc(OCCCc3cn(CCCC)nn3)c(OC)c2)CO1 |
| InChIKey | XPMUUENUQYZASR-HHHXNRCGSA-N |
Chemical Properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 18 |
| Log P | 4.626 |
| Molecular weight (Da) | 551.3 |
| Stereochemistry info | full |
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 |
CHEMBL3577342
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