CHEMBL2413107 [182622]
CHEMBL2413107
| SMILES | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCCCCCCCNS(=O)(=O)c4cccc5c(N(C)C)cccc45)ncnc32)[C@H](C)[C@@H]1C |
| InChIKey | HTHMELJUQYDPKF-PPMKIKMNSA-N |
Chemical Properties
| Hydrogen bond acceptors | 10 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 18 |
| Log P | 5.862 |
| Molecular weight (Da) | 692.4 |
| 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 |
CHEMBL2413107
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