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Compound Detail

CHEMBL4093899

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CCc1ccc(/C=C2\SC(=S)N(CN3CCCCC3)C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4093899
Phase Preclinical
Structure Type MOL
InChI Key XBSWYZBWQJVAEQ-VBKFSLOCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

346.5
MW (Da)
3.89
ALogP
4
HBA
0
HBD
23.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N2OS2
MW 346.52
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.83

Activity Summary

IC50 1 meas. best 4.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
c-Myc/c-Max
CHEMBL4106127
 IC50 4.38 4.38 42000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
c-Myc/c-Max IC50 = 42000.0 nM 4.38 Inhibition of c-Myc/Max interaction in human HL60 cells assessed as cell growth ... -

Data from ChEMBL 36 via Core Engine