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Compound Detail

CHEMBL3190554

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Cc1ccccc1C(=O)N/N=C/c1ccc(Sc2ccccn2)o1

Basic Information

ChEMBL ID CHEMBL3190554
Phase Preclinical
Structure Type MOL
InChI Key DZVKZQACAGTRQB-UDWIEESQSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
3.90
ALogP
5
HBA
1
HBD
67.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15N3O2S
MW 337.40
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.99

Activity Summary

IC50 2 meas. best 4.78

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Eyes absent homolog 2
CHEMBL1293275
IC50 4.78 4.46 16800.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine