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Compound Detail

CHEMBL1431586

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Cc1ccc2c(c1)c1nnc(SCC(=O)Nc3cccc(Cl)c3C)nc1n2CC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1431586
Phase Preclinical
Structure Type MOL
InChI Key APIKBBZFIQZCFM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

455.9
MW (Da)
4.07
ALogP
7
HBA
2
HBD
110.0
PSA (Ų)
0.42
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 C21H18ClN5O3S
MW 455.93
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -2.22

Activity Summary

IC50 1 meas. best 5.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aminopeptidase N
CHEMBL4117
 IC50 5.08 5.08 8420.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Aminopeptidase N IC50 = 8420.0 nM 5.08 PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... -

Data from ChEMBL 36 via Core Engine