Compound Detail
CHEMBL3655045
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CC(C)(C)c1ccc(NC(=O)N2Cc3ccc(S(=O)(=O)Nc4ccc(OCCOc5cccc(C(F)(F)F)c5)cc4F)cc3C2)cc1
Basic Information
| ChEMBL ID | CHEMBL3655045 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHEKVTOKGBMMJK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
671.7
MW (Da)
7.95
ALogP
5
HBA
2
HBD
97.0
PSA (Ų)
0.14
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 2-acylglycerol O-acyltransferase 2 CHEMBL2439944 | IC50 | 7.23 | 7.23 | 59.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 2-acylglycerol O-acyltransferase 2 | IC50 | = | 59.0 | nM | 7.23 | Inhibition Assay: A test for MGAT2 inhibitory action of test compounds was condu... | - |
Data from ChEMBL 36 via Core Engine