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Compound Detail

CHEMBL4086023

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C#CCN1C(=O)S/C(=C/c2ccc(CC)cc2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4086023
Phase Preclinical
Structure Type MOL
InChI Key ZDBVCCLULQKRKW-JLHYYAGUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

271.3
MW (Da)
2.92
ALogP
3
HBA
0
HBD
37.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13NO2S
MW 271.34
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.83

Activity Summary

IC50 1 meas. best 5.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
c-Myc/c-Max
CHEMBL4106127
 IC50 5.19 5.19 6500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
c-Myc/c-Max IC50 = 6500.0 nM 5.19 Inhibition of c-Myc/Max interaction in human HL60 cells assessed as cell growth ... -

Data from ChEMBL 36 via Core Engine