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Compound Detail

CHEMBL4530754

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

Basic Information

ChEMBL ID CHEMBL4530754
Phase Preclinical
Structure Type MOL
InChI Key VDKNIVFIPSLUFD-RGVLZGJSSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
3.73
ALogP
5
HBA
1
HBD
67.5
PSA (Ų)
0.57
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 C17H12FN3O2S
MW 341.37
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -2.27

Activity Summary

IC50 2 meas. best 5.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Eyes absent homolog 2
CHEMBL1293275
 IC50 5.4 5.09 4000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Eyes absent homolog 2 IC50 = 4000.0 nM 5.4 Inhibition of GST-fused human Eya2 ED (253 to 538 residues) expressed in Escheri... -
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