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Compound Detail

CHEMBL183436

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CC(=O)NOc1ccnc(C(=O)Nc2nccs2)c1

Basic Information

ChEMBL ID CHEMBL183436
Phase Preclinical
Structure Type MOL
InChI Key VQIGUODXCODGBE-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

278.3
MW (Da)
1.22
ALogP
6
HBA
2
HBD
93.2
PSA (Ų)
0.82
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 C11H10N4O3S
MW 278.29
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.68

Activity Summary

IC50 2 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase
CHEMBL3423
IC50 5.7 5.7 1980.0 1
Methionine aminopeptidase 1
CHEMBL2526
IC50 4.77 4.77 17040.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15664828 10.1016/j.bmcl.2004.11.034 Methionine aminopeptidase 1
15664828 10.1016/j.bmcl.2004.11.034 Methionine aminopeptidase 1 1

Data from ChEMBL 36 via Core Engine