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Compound Detail

CHEMBL4103943

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CCc1ccc(/C=C2\SC(=S)N(CCC(C)=O)C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4103943
Phase Preclinical
Structure Type MOL
InChI Key PSWHNTDJIRHQIB-UVTDQMKNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
3.43
ALogP
4
HBA
0
HBD
37.4
PSA (Ų)
0.62
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 C16H17NO2S2
MW 319.45
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -1.59

Activity Summary

IC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
c-Myc/c-Max
CHEMBL4106127
 IC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
c-Myc/c-Max IC50 = 10000.0 nM 5.0 Inhibition of c-Myc/Max interaction in human HL60 cells assessed as cell growth ... -

Data from ChEMBL 36 via Core Engine