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Compound Detail

CHEMBL1349938

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Cc1cc(O)nc(SCC(=O)Nc2cccc3ccccc23)c1C#N

Basic Information

ChEMBL ID CHEMBL1349938
Phase Preclinical
Structure Type MOL
InChI Key SNODLIOFGYJKHO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
3.85
ALogP
5
HBA
2
HBD
86.0
PSA (Ų)
0.70
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 C19H15N3O2S
MW 349.42
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.97

Activity Summary

IC50 1 meas. best 5.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leucine aminopeptidase
CHEMBL1293313
IC50 5.66 5.66 2200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leucine aminopeptidase IC50 = 2200.0 nM 5.66 PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M17- Family Leucine Aminop... -

Data from ChEMBL 36 via Core Engine