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Compound Detail

CHEMBL490677

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CCCCOC(=O)CCN1C(=O)/C(=C/c2ccc(CC)cc2)SC1=S

Basic Information

ChEMBL ID CHEMBL490677
Phase Preclinical
Structure Type MOL
InChI Key RHWSTNZSAHNRGX-SSZFMOIBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

377.5
MW (Da)
4.18
ALogP
5
HBA
0
HBD
46.6
PSA (Ų)
0.29
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23NO3S2
MW 377.53
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -1.48

Activity Summary

IC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 10000.0 nM 5.0 Inhibition of 6-His tagged recombinant c-Myc353-437 gene binding to Max(S) prote... 19215087

Literature References

PubMed DOI Target Context # Activities
19215087 10.1021/jm801278g Unchecked 1

Data from ChEMBL 36 via Core Engine