compound 13e [PMID: 31811124] [2025]
compound 13e [PMID: 31811124]
| SMILES |
O=C(O)CCCC(=O)CN1CC(C(=O)O)Oc2c(CC(=O)c3ccc(OCCCCCc4ccccc4)cc3)cccc21 |
| InChIKey |
MUBSBSWICVQHHN-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors |
7 |
| Hydrogen bond donors |
2 |
| Rotatable bonds |
17 |
| Log P |
5.380 |
| Molecular weight (Da) |
587.3 |
| Stereochemistry info |
unspecified |
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 |
|
|
|
|
|
|
|
|
|
|
compound 13e [PMID: 31811124]
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
Compound is not listed as a drug.