Compound Detail
CHEMBL3677547
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
CC(C)Oc1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc3c2)cc1Cl
Basic Information
| ChEMBL ID | CHEMBL3677547 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKJJVRJIJQCCNF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
546.1
MW (Da)
2.89
ALogP
8
HBA
2
HBD
145.5
PSA (Ų)
0.42
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelial lipase CHEMBL5080 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
| Hepatic triacylglycerol lipase CHEMBL2127 | IC50 | 8.44 | 8.44 | 3.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelial lipase | IC50 | = | 2.3 | nM | 8.64 | Biological Assay: Endothelial lipase (EL) and hepatic lipase (HL) activities wer... | - |
| Hepatic triacylglycerol lipase | IC50 | = | 3.6 | nM | 8.44 | Biological Assay: Endothelial lipase (EL) and hepatic lipase (HL) activities wer... | - |
Data from ChEMBL 36 via Core Engine