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Compound Detail

CHEMBL3262540

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CC(C)=CCCC1(C)C=Cc2c(ccc(C(=O)CCc3cccnc3)c2O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3262540
Phase Preclinical
Structure Type MOL
InChI Key YNXUCCSUUYRDJP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

377.5
MW (Da)
5.51
ALogP
4
HBA
1
HBD
59.4
PSA (Ų)
0.51
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27NO3
MW 377.48
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 1.97

Activity Summary

IC50 1 meas. best 4.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leishmania donovani
CHEMBL367
 IC50 4.96 4.96 11000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leishmania donovani IC50 = 11000.0 nM 4.96 Antileishmanial activity against intracellular amastigote form of Leishmania don... 24635539

Literature References

PubMed DOI Target Context # Activities
24635539 10.1021/jm401893j Leishmania donovani 2
24635539 10.1021/jm401893j Vero 1
24635539 10.1021/jm401893j Unchecked 1

Data from ChEMBL 36 via Core Engine