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Compound Detail

CHEMBL1550120

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Cc1csc(NC(=O)CSCC(=O)O)c1-c1nc2ccccc2s1

Basic Information

ChEMBL ID CHEMBL1550120
Phase Preclinical
Structure Type MOL
InChI Key LEQFDVXRABXIMC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

378.5
MW (Da)
4.09
ALogP
6
HBA
2
HBD
79.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N2O3S3
MW 378.50
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -2.06

Activity Summary

IC50 1 meas. best 5.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aminopeptidase N
CHEMBL4117
IC50 5.15 5.15 7090.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Aminopeptidase N IC50 = 7090.0 nM 5.15 PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... -

Data from ChEMBL 36 via Core Engine