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Compound Detail

CHEMBL189018

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CCOC(=O)c1cnc2c(c(C)nn2C)c1Nc1ccc(OC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL189018
Phase Preclinical
Structure Type MOL
InChI Key LUIXZWVAWPHUHR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
3.21
ALogP
7
HBA
1
HBD
78.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N4O3
MW 340.38
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.52

Activity Summary

IC50 1 meas. best 4.49

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leishmania amazonensis
CHEMBL612877
 IC50 4.49 4.49 32050.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leishmania amazonensis IC50 = 32050.0 nM 4.49 Tested for growth inhibitory activity against Leishmania amazonensis promastigot... 15481980

Literature References

PubMed DOI Target Context # Activities
15481980 10.1021/jm0401006 Leishmania amazonensis 2
15481980 10.1021/jm0401006 No relevant target 2

Data from ChEMBL 36 via Core Engine