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Compound Detail

CHEMBL42982

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CC(C)CC(N)P(=O)(O)C(=O)N[C@@H](CC(C)C)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL42982
Phase Preclinical
Structure Type MOL
InChI Key DAMWIDFVIJLVBK-RGURZIINSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

308.3
MW (Da)
1.80
ALogP
4
HBA
4
HBD
129.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H25N2O5P
MW 308.32
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 0.29

Activity Summary

Ki 1 meas. best 4.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cytosol aminopeptidase
CHEMBL3965
 Ki 4.25 4.25 56000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cytosol aminopeptidase Ki = 56000.0 nM 4.25 Inhibition of Leucine aminopeptidase isolated from porcine kidney. 3625708

Literature References

PubMed DOI Target Context # Activities
3625708 10.1021/jm00392a014 Cytosol aminopeptidase 1

Data from ChEMBL 36 via Core Engine