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Compound Detail

CHEMBL2375622

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O=Cc1ccc(N2CCN(c3cc(-c4ccccn4)nc4ccccc34)CC2)cc1

Basic Information

ChEMBL ID CHEMBL2375622
Phase Preclinical
Structure Type MOL
InChI Key QGWSVGFYCOWDJT-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

394.5
MW (Da)
4.44
ALogP
5
HBA
0
HBD
49.3
PSA (Ų)
0.48
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 C25H22N4O
MW 394.48
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.03

Activity Summary

EC50 2 meas. best 7.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase 1
CHEMBL2474
EC50 7.09 6.205 81.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23634668 10.1021/jm400227z Methionine aminopeptidase 1 2
23634668 10.1021/jm400227z Methionine aminopeptidase 2 1

Data from ChEMBL 36 via Core Engine