CHEMBL5755724 [404323]
CHEMBL5755724
| SMILES | CNC(=O)[C@]12CC1[C@@H](n1cnc3c(NC4CC4c4cccc(Br)c4)nc(C#Cc4ccccc4)nc31)[C@H](O)C2O |
| InChIKey | HHXFRSYRHRWLCU-NZZKIROCSA-N |
Chemical Properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 5 |
| Log P | 2.985 |
| Molecular weight (Da) | 598.1 |
| Stereochemistry info | partial |
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 |
CHEMBL5755724
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