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Compound Detail

CHEMBL3359686

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CC(C)(C)OC(=O)NC(C(=O)O)c1ccc(-n2cccn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3359686
Phase Preclinical
Structure Type MOL
InChI Key UOWNCPKDJJHRRJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

317.4
MW (Da)
2.52
ALogP
5
HBA
2
HBD
93.5
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19N3O4
MW 317.35
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.76

Activity Summary

Ki 1 meas. best 6.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leucine aminopeptidase
CHEMBL1293313
 Ki 6.33 6.33 464.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leucine aminopeptidase Ki = 464.0 nM 6.33 Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec... 25299353

Literature References

PubMed DOI Target Context # Activities
25299353 10.1021/jm501323a Leucine aminopeptidase 1
25299353 10.1021/jm501323a Aminopeptidase N 1
25299353 10.1021/jm501323a HEK293 1

Data from ChEMBL 36 via Core Engine