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Compound Detail

CHEMBL36716

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CC(C)CC(N)P(=O)(O)CC(Cc1ccccc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL36716
Phase Preclinical
Structure Type MOL
InChI Key PXTTUPHZZUMXDB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

313.3
MW (Da)
2.53
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.64
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 C15H24NO4P
MW 313.33
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.31

Activity Summary

Ki 1 meas. best 6.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aminopeptidase N
CHEMBL2590
 Ki 6.43 6.43 370.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Aminopeptidase N Ki = 370.0 nM 6.43 Inhibition of pig kidney Aminopeptidase N 10386926

Literature References

PubMed DOI Target Context # Activities
10386926 10.1016/s0960-894x(99)00236-x Aminopeptidase N 1

Data from ChEMBL 36 via Core Engine