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Compound Detail

CHEMBL1532434

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O=C(Nn1c(C2CCC2)nc2ccccc2c1=O)c1cccs1

Basic Information

ChEMBL ID CHEMBL1532434
Phase Preclinical
Structure Type MOL
InChI Key YPDVQWVQTVSTQS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
3.11
ALogP
5
HBA
1
HBD
64.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15N3O2S
MW 325.39
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.64

Activity Summary

IC50 1 meas. best 5.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aminopeptidase N
CHEMBL4117
IC50 5.07 5.07 8540.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Aminopeptidase N IC50 = 8540.0 nM 5.07 PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... -

Data from ChEMBL 36 via Core Engine