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Compound Detail

CHEMBL183652

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O=C(Nc1nccs1)c1cc(NCc2ccccc2)ccn1

Basic Information

ChEMBL ID CHEMBL183652
Phase Preclinical
Structure Type MOL
InChI Key KURYNQSXRPNGEU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
3.40
ALogP
5
HBA
2
HBD
66.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N4OS
MW 310.38
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -2.01

Activity Summary

IC50 1 meas. best 5.63

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase
CHEMBL3423
IC50 5.63 5.63 2320.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Methionine aminopeptidase IC50 = 2320.0 nM 5.63 Inhibitory concentration against Escherichia coli methionine aminopeptidase 1 15664828

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