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Compound Detail

CHEMBL4463681

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O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cccc(Br)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4463681
Phase Preclinical
Structure Type MOL
InChI Key IREZQEIPLSGOCU-RGVLZGJSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

402.3
MW (Da)
4.35
ALogP
5
HBA
1
HBD
67.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12BrN3O2S
MW 402.27
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -2.06

Activity Summary

IC50 1 meas. best 5.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Eyes absent homolog 2
CHEMBL1293275
 IC50 5.75 5.75 1800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Eyes absent homolog 2 IC50 = 1800.0 nM 5.75 Inhibition of GST-fused human Eya2 ED (253 to 538 residues) expressed in Escheri... -

Data from ChEMBL 36 via Core Engine