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Compound Detail

CHEMBL5757533

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Cc1ccc(C(=O)N2N=C(c3ccc(NS(C)(=O)=O)cc3)CC2c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5757533
Phase Preclinical
Structure Type MOL
InChI Key AEYNPQNDSFSVNF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

433.5
MW (Da)
4.36
ALogP
4
HBA
1
HBD
78.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23N3O3S
MW 433.53
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.52

Activity Summary

IC50 1 meas. best 6.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Apoptosis regulator Bcl-2/Beclin-1
CHEMBL6066579
 IC50 6.04 6.04 905.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Apoptosis regulator Bcl-2/Beclin-1 IC50 = 905.0 nM 6.04 High-Throughput Assay: A high-throughput Beclin 1/Bcl-2 AlphaLISA assay to direc... -

Data from ChEMBL 36 via Core Engine