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Compound Detail

CHEMBL1482916

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O=S(=O)(c1ccc2nc(O)c(O)nc2c1)N1CCN(Cc2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1482916
Phase Preclinical
Structure Type MOL
InChI Key GEGWPQITPIJSMI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
1.55
ALogP
7
HBA
2
HBD
106.9
PSA (Ų)
0.68
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 C19H20N4O4S
MW 400.46
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.62

Activity Summary

IC50 1 meas. best 5.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leucine aminopeptidase
CHEMBL1293313
 IC50 5.58 5.58 2620.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leucine aminopeptidase IC50 = 2620.0 nM 5.58 PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M17- Family Leucine Aminop... -

Data from ChEMBL 36 via Core Engine