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Compound Detail

CHEMBL282583

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NC(N)=NCCC[C@H](N)C(=O)C[C@@H](Cc1ccccc1)C(=O)O

Basic Information

ChEMBL ID CHEMBL282583
Phase Preclinical
Structure Type MOL
InChI Key FQRLGZIGRMSTAX-OLZOCXBDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

320.4
MW (Da)
0.27
ALogP
4
HBA
4
HBD
144.8
PSA (Ų)
0.28
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H24N4O3
MW 320.39
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.97

Activity Summary

Ki 1 meas. best 8.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aminopeptidase B
CHEMBL2452
Ki 8.6 8.6 2.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Aminopeptidase B Ki = 2.5 nM 8.6 Inhibition of aminopeptidase B or arginyl aminopeptidase purified from rat liver 2566685

Literature References

PubMed DOI Target Context # Activities
2566685 10.1021/jm00126a039 Leucyl-cystinyl aminopeptidase 1
2566685 10.1021/jm00126a039 Aminopeptidase B 1

Data from ChEMBL 36 via Core Engine