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Compound Detail

CHEMBL189954

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CCOC(=O)c1cnc2c(c(C)nn2C)c1Nc1cccc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL189954
Phase Preclinical
Structure Type MOL
InChI Key UNPXVODFDYFSFF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

344.8
MW (Da)
3.85
ALogP
6
HBA
1
HBD
69.0
PSA (Ų)
0.73
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 C17H17ClN4O2
MW 344.80
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.94

Activity Summary

IC50 1 meas. best 4.83

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leishmania amazonensis
CHEMBL612877
 IC50 4.83 4.83 14860.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leishmania amazonensis IC50 = 14860.0 nM 4.83 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