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Compound Detail

CHEMBL142010

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CC(C)CCNC(=O)[C@@H](O)[C@H](N)CC(C)C

Basic Information

ChEMBL ID CHEMBL142010
Phase Preclinical
Structure Type MOL
InChI Key MKERBSGRDNFQSK-MNOVXSKESA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

230.3
MW (Da)
0.88
ALogP
3
HBA
3
HBD
75.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H26N2O2
MW 230.35
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 0.20

Activity Summary

Ki 2 meas. best 5.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aspartyl aminopeptidase
CHEMBL2761
Ki 5.27 5.27 5400.0 1
Aminopeptidase N
CHEMBL1907
Ki 4.62 4.62 24000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1738140 10.1021/jm00081a005 Aspartyl aminopeptidase 1
1738140 10.1021/jm00081a005 Aminopeptidase N 1
1738140 10.1021/jm00081a005 Aminopeptidase B 1

Data from ChEMBL 36 via Core Engine