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Compound Detail

CHEMBL3677498

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Cc1nnc(CNC(=O)C(c2nc3cc(F)c(-c4ccccc4)cc3s2)S(C)(=O)=O)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3677498
Phase Preclinical
Structure Type MOL
InChI Key XVQKOUMUSBIUBI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

460.5
MW (Da)
3.20
ALogP
8
HBA
1
HBD
115.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17FN4O4S2
MW 460.51
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.81

Activity Summary

IC50 1 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatic triacylglycerol lipase
CHEMBL2127
 IC50 7.96 7.96 11.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatic triacylglycerol lipase IC50 = 11.0 nM 7.96 Biological Assay: Endothelial lipase (EL) and hepatic lipase (HL) activities wer... -

Data from ChEMBL 36 via Core Engine