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Compound Detail

CHEMBL1482670

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C=CCn1c(SCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)nnc1-c1ccccc1

Basic Information

ChEMBL ID CHEMBL1482670
Phase Preclinical
Structure Type MOL
InChI Key BYQQNBDKRJXLHR-UHFFFAOYSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

497.6
MW (Da)
6.45
ALogP
7
HBA
1
HBD
72.7
PSA (Ų)
0.20
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H23N5OS2
MW 497.65
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -2.65

Activity Summary

IC50 4 meas. best 6.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2
CHEMBL2096976
IC50 6.13 6.13 736.7 1
Photoreceptor-specific nuclear receptor
CHEMBL4374
IC50 6.11 6.11 774.2 1
26S proteasome non-ATPase regulatory subunit 14
CHEMBL2007629
IC50 4.62 4.62 23700.0 1
Prothrombin
CHEMBL4471
IC50 4.29 4.29 51400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine