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Compound Detail

CHEMBL1440874

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O=C(c1ccco1)N1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1

Basic Information

ChEMBL ID CHEMBL1440874
Phase Preclinical
Structure Type MOL
InChI Key LOGUCZQPTAKPOL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

319.3
MW (Da)
0.51
ALogP
6
HBA
1
HBD
125.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13N5O5
MW 319.28
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.82

Activity Summary

IC50 1 meas. best 5.65

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leucine aminopeptidase
CHEMBL1293313
IC50 5.65 5.65 2220.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leucine aminopeptidase IC50 = 2220.0 nM 5.65 PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M17- Family Leucine Aminop... -

Data from ChEMBL 36 via Core Engine