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Compound Detail

CHEMBL143946

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COc1cccc(OC)c1C(=O)/C=C\c1ccc(Cl)cc1

Basic Information

ChEMBL ID CHEMBL143946
Phase Preclinical
Structure Type MOL
InChI Key CFNNDLXZAIHCFK-FLIBITNWSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

302.8
MW (Da)
4.25
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H15ClO3
MW 302.76
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.14

Activity Summary

IC50 2 meas. best 6.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 6.11 6.01 770.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8544179 10.1021/jm00026a010 Plasmodium falciparum 2
8544179 10.1021/jm00026a010 Unchecked 1

Data from ChEMBL 36 via Core Engine