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Compound Detail

CHEMBL4059509

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CCc1cc2cc(NS(=O)(=O)c3ccc(C#N)cc3)ccc2n(CC)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4059509
Phase Preclinical
Structure Type MOL
InChI Key QTIVTZLLONAWRR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

381.5
MW (Da)
3.26
ALogP
5
HBA
1
HBD
92.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19N3O3S
MW 381.46
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.83

Activity Summary

IC50 1 meas. best 4.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Probable global transcription activator SNF2L2
CHEMBL2362979
 IC50 4.11 4.11 77000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Probable global transcription activator SNF2L2 IC50 = 77000.0 nM 4.11 Inhibition of human SMARCA2A expressed in Escherichia coli BL21 after 1 hr by BR... 28068087

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5724801 U2OS 304
- 10.6019/CHEMBL5058577 U2OS 304
- 10.6019/CHEMBL5724801 HEK-293T 304
- 10.6019/CHEMBL5724801 Fibroblast 304
- 10.6019/CHEMBL5058577 HEK-293T 304
- 10.6019/CHEMBL5058577 Fibroblast 304
- 10.6019/CHEMBL5674860 Colon cancer organoid 12
- 10.6019/CHEMBL5724558 Colon cancer organoid 12
- 10.6019/CHEMBL5058564 Fibroblast 9
- 10.6019/CHEMBL5058564 HEK-293T 9
- 10.6019/CHEMBL5058564 U2OS 7
- 10.6019/CHEMBL5608141 Colon cancer organoid 6
- 10.1158/2159-8290.CD-23-0050 Colon cancer organoid 5
28068087 10.1021/acs.jmedchem.6b01583 Chromatin remodeling regulator CECR2 2
- 10.6019/CHEMBL5465560 Bromodomain-containing protein 4 2
28068087 10.1021/acs.jmedchem.6b01583 Bromodomain-containing protein 4 2
28068087 10.1021/acs.jmedchem.6b01583 Bromodomain-containing protein 9 2
28068087 10.1021/acs.jmedchem.6b01583 Peregrin 2
- 10.6019/CHEMBL5465560 Chromatin remodeling regulator CECR2 2
- 10.6019/CHEMBL5465560 Bromodomain-containing protein 9 2

Data from ChEMBL 36 via Core Engine