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Compound Detail

CHEMBL1482795

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O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccco1

Basic Information

ChEMBL ID CHEMBL1482795
Phase Preclinical
Structure Type MOL
InChI Key FISZZIYIDXQPIF-UHFFFAOYSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
4.27
ALogP
6
HBA
1
HBD
68.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H9N3O2S2
MW 327.39
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -2.71

Activity Summary

IC50 4 meas. best 5.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Photoreceptor-specific nuclear receptor
CHEMBL4374
IC50 5.61 5.61 2438.0 1
Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2
CHEMBL2096976
IC50 5.41 5.41 3922.0 1
26S proteasome non-ATPase regulatory subunit 14
CHEMBL2007629
IC50 5.0 5.0 10100.0 1
Prothrombin
CHEMBL4471
IC50 4.12 4.12 75100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine