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Compound Detail

CHEMBL364627

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CCOC(=O)c1cnc2c(c(C)nn2-c2ccccc2)c1Nc1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL364627
Phase Preclinical
Structure Type MOL
InChI Key DNSJTVSEDAQBPT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

388.4
MW (Da)
4.35
ALogP
7
HBA
2
HBD
89.3
PSA (Ų)
0.39
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 C22H20N4O3
MW 388.43
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.31

Activity Summary

IC50 1 meas. best 6.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leishmania amazonensis
CHEMBL612877
 IC50 6.26 6.26 550.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leishmania amazonensis IC50 = 550.0 nM 6.26 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 1

Data from ChEMBL 36 via Core Engine