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Compound Detail

CHEMBL1160058

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

Basic Information

ChEMBL ID CHEMBL1160058
Phase Preclinical
Structure Type MOL
InChI Key TZYPULNAMDNJEQ-NFJWQWPMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

295.3
MW (Da)
2.27
ALogP
4
HBA
3
HBD
109.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H26NO5P
MW 295.32
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness 0.51

Activity Summary

Ki 1 meas. best 4.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cytosol aminopeptidase
CHEMBL3965
 Ki 4.24 4.24 58000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cytosol aminopeptidase Ki = 58000.0 nM 4.24 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