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Compound Detail

CHEMBL1353698

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O=S(=O)(Nc1ccc(-c2nc3cccnc3s2)cc1)c1cccs1

Basic Information

ChEMBL ID CHEMBL1353698
Phase Preclinical
Structure Type MOL
InChI Key VCTKYBRBZRZBGQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

373.5
MW (Da)
4.22
ALogP
6
HBA
1
HBD
72.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11N3O2S3
MW 373.48
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -2.65

Activity Summary

IC50 1 meas. best 5.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Runt-related transcription factor 1/Core-binding factor subunit beta
CHEMBL2093862
IC50 5.44 5.44 3636.5 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine