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Compound Detail

CHEMBL257930

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CN(C)c1ccc(/C=C/C=C2C(=O)NC(=S)NC2=O)cc1

Basic Information

ChEMBL ID CHEMBL257930
Phase Preclinical
Structure Type MOL
InChI Key VPYIQBMBOGWJPO-ONEGZZNKSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

301.4
MW (Da)
1.22
ALogP
4
HBA
2
HBD
61.4
PSA (Ų)
0.50
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 C15H15N3O2S
MW 301.37
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.80

Activity Summary

Ki 2 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase 1
CHEMBL2474
Ki 6.0 6.0 1000.0 1
Unchecked
CHEMBL612545
Ki 4.77 4.77 17000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18343108 10.1016/j.bmcl.2008.02.066 Unchecked 1
18343108 10.1016/j.bmcl.2008.02.066 Methionine aminopeptidase 1 1

Data from ChEMBL 36 via Core Engine