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Compound Detail

CHEMBL1392765

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COc1ccc(-c2csc(NC(=S)NC(=O)/C=C/c3ccccc3)n2)cc1Br

Basic Information

ChEMBL ID CHEMBL1392765
Phase Preclinical
Structure Type MOL
InChI Key OQXKPRYUDKNSLF-JXMROGBWSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

474.4
MW (Da)
5.11
ALogP
5
HBA
2
HBD
63.2
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16BrN3O2S2
MW 474.41
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.57

Activity Summary

EC50 2 meas. best 4.88

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 4.88 4.745 13200.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine