Compound Detail
CHEMBL3929522
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CC(C)(NC(=O)c1cn2cc(-c3ccc(C4CCC(CC(=O)O)CC4)cc3)ccc2n1)c1ccc(F)cc1
Basic Information
| ChEMBL ID | CHEMBL3929522 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUXVEQDLISPEBL-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
513.6
MW (Da)
6.55
ALogP
4
HBA
2
HBD
83.7
PSA (Ų)
0.29
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 CHEMBL1075284 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| Diacylglycerol O-acyltransferase 1 CHEMBL6009 | IC50 | 8.4 | 8.4 | 4.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 1 | IC50 | = | 1.2 | nM | 8.92 | Inhibition Assay: Â Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% b... | - |
| Diacylglycerol O-acyltransferase 1 | IC50 | = | 4.0 | nM | 8.4 | Inhibition Assay: Â Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% b... | - |
| Diacylglycerol O-acyltransferase 1 | IC50 | = | 4.0 | nM | 8.4 | Inhibition Assay: Â Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2 and 0.04% b... | - |
Data from ChEMBL 36 via Core Engine