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Compound Detail

CHEMBL1350038

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CC(Sc1ccc2c(c1)OCCO2)C(=O)Nc1ncc(Cl)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1350038
Phase Preclinical
Structure Type MOL
InChI Key JYZGSXWEKCUWPE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

385.3
MW (Da)
4.28
ALogP
5
HBA
1
HBD
60.5
PSA (Ų)
0.80
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 C16H14Cl2N2O3S
MW 385.27
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -2.01

Activity Summary

IC50 1 meas. best 5.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leucine aminopeptidase
CHEMBL1293313
 IC50 5.42 5.42 3800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leucine aminopeptidase IC50 = 3800.0 nM 5.42 PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M17- Family Leucine Aminop... -

Data from ChEMBL 36 via Core Engine