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Compound Detail

CHEMBL2375629

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Clc1nc(-c2ccccn2)nc2ccccc12

Basic Information

ChEMBL ID CHEMBL2375629
Phase Preclinical
Structure Type MOL
InChI Key WEQSCSKJHXQJOB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

241.7
MW (Da)
3.35
ALogP
3
HBA
0
HBD
38.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H8ClN3
MW 241.68
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -1.53

Activity Summary

EC50 1 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase 1
CHEMBL2474
EC50 5.82 5.82 1500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Methionine aminopeptidase 1 EC50 = 1500.0 nM 5.82 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