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Compound Detail

CHEMBL1993889

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CCn1/c(=N\C(=O)CCS(=O)(=O)c2ccccc2)sc2cccc(OC)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1993889
Phase Preclinical
Structure Type MOL
InChI Key JDKKZIXDUXZNRM-FMQUCBEESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

404.5
MW (Da)
3.02
ALogP
6
HBA
0
HBD
77.7
PSA (Ų)
0.63
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 C19H20N2O4S2
MW 404.51
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -2.12

Activity Summary

IC50 1 meas. best 5.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Zinc finger protein GLI1
CHEMBL5007
 IC50 5.51 5.51 3110.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Zinc finger protein GLI1 IC50 = 3110.0 nM 5.51 PubChem BioAssay. Dose response confirmation of uHTS antagonist hits from Gli-SU... -

Data from ChEMBL 36 via Core Engine