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Compound Detail

CHEMBL5871672

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O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc2c(-c3cccc(OC(F)F)c3)cn(-c3ccc(F)cc3)c2c1

Basic Information

ChEMBL ID CHEMBL5871672
Phase Preclinical
Structure Type MOL
InChI Key AZDATXZJTDOEOA-IBGZPJMESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

514.5
MW (Da)
4.95
ALogP
5
HBA
1
HBD
77.4
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H21F3N2O4S
MW 514.53
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.92

Activity Summary

IC50 1 meas. best 9.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Diacylglycerol O-acyltransferase 2
CHEMBL5853
IC50 9.28 9.28 0.5 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine