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Compound Detail

CHEMBL4071730

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O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1CN1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4071730
Phase Preclinical
Structure Type MOL
InChI Key BZSQDYGXJOOSHL-UVTDQMKNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

352.9
MW (Da)
3.98
ALogP
4
HBA
0
HBD
23.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H17ClN2OS2
MW 352.91
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -2.02

Activity Summary

IC50 1 meas. best 4.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
c-Myc/c-Max
CHEMBL4106127
 IC50 4.42 4.42 38000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
c-Myc/c-Max IC50 = 38000.0 nM 4.42 Inhibition of c-Myc/Max interaction in human HL60 cells assessed as cell growth ... -

Data from ChEMBL 36 via Core Engine