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Compound Detail

CHEMBL5887093

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Cc1cc(-c2ccccc2)c(F)c(C(=O)NNS(=O)(=O)c2ccccc2)c1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5887093
Phase Preclinical
Structure Type MOL
InChI Key IEKZTZPMKNWIEF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

402.4
MW (Da)
3.56
ALogP
3
HBA
2
HBD
75.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16F2N2O3S
MW 402.42
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.18

Activity Summary

IC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 10.0 nM 8.0 Biochemical Assay: Active Moz protein was expressed as N-terminal fusion protein... -

Data from ChEMBL 36 via Core Engine