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Compound Detail

CHEMBL3732620

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Cc1nc2cc(Cl)c(-c3cnc(NC(=O)c4ccccc4Cl)s3)cc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3732620
Phase Preclinical
Structure Type MOL
InChI Key IHGGCZBQXGPQNY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

404.3
MW (Da)
5.82
ALogP
5
HBA
1
HBD
68.0
PSA (Ų)
0.47
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H11Cl2N3O2S
MW 404.28
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.86

Activity Summary

IC50 1 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Jurkat
CHEMBL397
 IC50 7.3 7.3 50.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Jurkat IC50 = 50.0 nM 7.3 Inhibition of PHA/TPA-induced IL2 release in human Jurkat T cells preincubated f... -

Data from ChEMBL 36 via Core Engine