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Compound Detail

CHEMBL1472208

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Oc1[nH]c(SCc2ccccc2Cl)nc2nncc1-2

Basic Information

ChEMBL ID CHEMBL1472208
Phase Preclinical
Structure Type MOL
InChI Key AOQNLSATSCPIAI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

292.8
MW (Da)
2.96
ALogP
5
HBA
2
HBD
74.7
PSA (Ų)
0.57
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 C12H9ClN4OS
MW 292.75
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -2.05

Activity Summary

IC50 1 meas. best 5.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aminopeptidase N
CHEMBL4117
IC50 5.03 5.03 9300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Aminopeptidase N IC50 = 9300.0 nM 5.03 PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... -

Data from ChEMBL 36 via Core Engine