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Compound Detail

CHEMBL1386479

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Brc1ccc(-c2csc(N3CCCCCC3)n2)cc1

Basic Information

ChEMBL ID CHEMBL1386479
Phase Preclinical
Structure Type MOL
InChI Key PDGLKTMXTPKGQM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

337.3
MW (Da)
4.95
ALogP
3
HBA
0
HBD
16.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17BrN2S
MW 337.29
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.87

Activity Summary

IC50 1 meas. best 5.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Zinc finger protein GLI1
CHEMBL5007
IC50 5.99 5.99 1020.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Zinc finger protein GLI1 IC50 = 1020.0 nM 5.99 PubChem BioAssay. Dose response confirmation of uHTS antagonist hits from Gli-SU... -

Data from ChEMBL 36 via Core Engine