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Compound Detail

CHEMBL2375607

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Clc1ccc(N2CCN(c3cc(-c4ccccn4)nc4ccccc34)CC2)cc1Cl

Basic Information

ChEMBL ID CHEMBL2375607
Phase Preclinical
Structure Type MOL
InChI Key BDYKVWRVXQLRPX-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

435.4
MW (Da)
5.93
ALogP
4
HBA
0
HBD
32.3
PSA (Ų)
0.40
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20Cl2N4
MW 435.36
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.44

Activity Summary

EC50 2 meas. best 6.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase 1
CHEMBL2474
EC50 6.41 5.855 390.0 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