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Compound Detail

CHEMBL5403713

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C=CCOc1cc(C)c2ncc(CCC=C(C)C)c3c2c1[C@H](C)CC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5403713
Phase Preclinical
Structure Type MOL
InChI Key OCTUAVGRXFINOT-MRXNPFEDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

335.5
MW (Da)
6.06
ALogP
2
HBA
0
HBD
22.1
PSA (Ų)
0.60
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29NO
MW 335.49
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.91

Activity Summary

IC50 1 meas. best 4.88

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 4.88 4.88 13100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 13100.0 nM 4.88 Antiplasmodial activity against choloroquine-sensitive ring stage of Plasmodium ... 38416027

Literature References

PubMed DOI Target Context # Activities
38416027 10.1021/acs.jnatprod.3c01072 Plasmodium falciparum 1
38416027 10.1021/acs.jnatprod.3c01072 HEK293 1

Data from ChEMBL 36 via Core Engine