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Compound Detail

CHEMBL1351421

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O=C(NCc1cccc(C(F)(F)F)c1)C1CC(c2c(Cl)cccc2Cl)=NO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1351421
Phase Preclinical
Structure Type MOL
InChI Key GYCVNQUWDNNAPW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

417.2
MW (Da)
4.82
ALogP
3
HBA
1
HBD
50.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13Cl2F3N2O2
MW 417.21
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.57

Activity Summary

IC50 1 meas. best 4.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phospholipase A2
CHEMBL4426
 IC50 4.33 4.33 46400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phospholipase A2 IC50 = 46400.0 nM 4.33 PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS hits for ATG4B inhibitors ... -

Data from ChEMBL 36 via Core Engine