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Compound Detail

CHEMBL2375626

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COc1ccc(N2CCN(c3cc(-c4ccc(Br)cn4)nc4ccccc34)CC2)cc1

Basic Information

ChEMBL ID CHEMBL2375626
Phase Preclinical
Structure Type MOL
InChI Key GOCWMLHCVCWLPK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

475.4
MW (Da)
5.39
ALogP
5
HBA
0
HBD
41.5
PSA (Ų)
0.40
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23BrN4O
MW 475.39
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.23

Activity Summary

EC50 1 meas. best 5.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase 1
CHEMBL2474
EC50 5.85 5.85 1400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Methionine aminopeptidase 1 EC50 = 1400.0 nM 5.85 Inhibition of human methionine aminopeptidase 1 in presence of Co2+ 23634668

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