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Compound Detail

CHEMBL1479043

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O=C(NN1C(=O)c2ccccc2NC12CCCCC2)c1ccccc1

Basic Information

ChEMBL ID CHEMBL1479043
Phase Preclinical
Structure Type MOL
InChI Key VGZXTZYRYSFUEZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
3.56
ALogP
3
HBA
2
HBD
61.4
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21N3O2
MW 335.41
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.46

Activity Summary

IC50 1 meas. best 5.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aminopeptidase N
CHEMBL4117
IC50 5.16 5.16 6870.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Aminopeptidase N IC50 = 6870.0 nM 5.16 PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... -

Data from ChEMBL 36 via Core Engine