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Compound Detail

CHEMBL69146

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NCCCC[C@@H](N)CO

Basic Information

ChEMBL ID CHEMBL69146
Phase Preclinical
Structure Type MOL
InChI Key LTGPFZWZZNUIIK-ZCFIWIBFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

132.2
MW (Da)
-0.57
ALogP
3
HBA
3
HBD
72.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H16N2O
MW 132.21
Aromatic Rings 0
Heavy Atoms 9
NP-Likeness 1.60

Activity Summary

Ki 1 meas. best 4.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aminopeptidase B
CHEMBL2452
Ki 4.0 4.0 100000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Aminopeptidase B Ki = 100000.0 nM 4.0 Inhibitory activity against aminopeptidase B 3184126

Literature References

PubMed DOI Target Context # Activities
3184126 10.1021/jm00119a022 Aminopeptidase B 1

Data from ChEMBL 36 via Core Engine