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Compound Detail

CHEMBL3238542

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COc1ccc2c(c1)C(=O)C(c1ccc(OC(C)C)cc1)=N2

Basic Information

ChEMBL ID CHEMBL3238542
Phase Preclinical
Structure Type MOL
InChI Key UWPOXLMRWQNWRN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

295.3
MW (Da)
3.80
ALogP
4
HBA
0
HBD
47.9
PSA (Ų)
0.86
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 C18H17NO3
MW 295.34
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.28

Activity Summary

IC50 1 meas. best 7.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 7.06 7.06 88.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24686013 10.1016/j.ejmech.2014.03.059 Plasmodium falciparum 1
24686013 10.1016/j.ejmech.2014.03.059 MCF7 1
24686013 10.1016/j.ejmech.2014.03.059 Unchecked 1

Data from ChEMBL 36 via Core Engine