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Compound Detail

CHEMBL4476815

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O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1ccncc1

Basic Information

ChEMBL ID CHEMBL4476815
Phase Preclinical
Structure Type MOL
InChI Key GFQRDSVVIODWDJ-YBFXNURJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
2.98
ALogP
6
HBA
1
HBD
80.4
PSA (Ų)
0.58
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 C16H12N4O2S
MW 324.37
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.98

Activity Summary

IC50 1 meas. best 4.78

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Eyes absent homolog 2
CHEMBL1293275
IC50 4.78 4.78 16800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Eyes absent homolog 2 IC50 = 16800.0 nM 4.78 Inhibition of GST-fused human Eya2 ED (253 to 538 residues) expressed in Escheri... -

Data from ChEMBL 36 via Core Engine