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Compound Detail

CHEMBL220435

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O=C(NO)C(Cc1ccccc1)C(=O)N1CCc2ccccc2C1

Basic Information

ChEMBL ID CHEMBL220435
Phase Preclinical
Structure Type MOL
InChI Key FOZULPNUJYPJRF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
1.94
ALogP
3
HBA
2
HBD
69.6
PSA (Ų)
0.51
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 C19H20N2O3
MW 324.38
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.63

Activity Summary

IC50 1 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aminopeptidase N
CHEMBL4117
IC50 6.6 6.6 253.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Aminopeptidase N IC50 = 253.0 nM 6.6 Inhibition of Plasmodium falciparum FcB1 M1 aminopeptidase 17326615

Literature References

PubMed DOI Target Context # Activities
17326615 10.1021/jm061169b Aminopeptidase N 3

Data from ChEMBL 36 via Core Engine