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Compound Detail

CHEMBL1502277

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Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1502277
Phase Preclinical
Structure Type MOL
InChI Key VJXZELUZWSSUSU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

383.4
MW (Da)
3.84
ALogP
4
HBA
1
HBD
64.0
PSA (Ų)
0.58
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 C24H21N3O2
MW 383.45
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.37

Activity Summary

IC50 1 meas. best 5.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aminopeptidase N
CHEMBL4117
 IC50 5.13 5.13 7390.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Aminopeptidase N IC50 = 7390.0 nM 5.13 PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... -

Data from ChEMBL 36 via Core Engine