Compound Detail
CHEMBL268024
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1ccc(-c2nc(SCCCCCN(CCCCCO)C(=O)NC(C)C)[nH]c2-c2ccc(OC)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL268024 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABTQGCHEFKYJNP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
568.8
MW (Da)
6.61
ALogP
6
HBA
3
HBD
99.7
PSA (Ų)
0.13
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1000.0 | nM | 6.0 | Acyl coenzyme A:cholesterol acyltransferase inhibition in cell culture measured ... | 7707310 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7707310 | 10.1021/jm00007a004 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine