CHEMBL1221682 [39529]
CHEMBL1221682
| SMILES | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3C3CCCC3)c2s1 |
| InChIKey | LMKMYJGZBLESNG-XPKDYRNWSA-N |
Chemical Properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 5 |
| Log P | 3.277 |
| Molecular weight (Da) | 362.2 |
| 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 |
CHEMBL1221682
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