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Compound Detail

CHEMBL4446792

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Cc1ccccc1OCC(=O)N/N=C/c1ccc(Sc2ccccn2)o1

Basic Information

ChEMBL ID CHEMBL4446792
Phase Preclinical
Structure Type MOL
InChI Key VHFWBLODEIFAPB-CIAFOILYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

367.4
MW (Da)
3.66
ALogP
6
HBA
1
HBD
76.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17N3O3S
MW 367.43
Aromatic Rings 3
Heavy Atoms 26
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 4.44 16800.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine