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Compound Detail

CHEMBL1915273

HOMOFASCAPLYSINE A
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CC(=O)C[C@]1(O)c2ccccc2-[n+]2ccc3c([nH]c4ccccc43)c21.[Cl-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1915273
Name HOMOFASCAPLYSINE A
Phase Preclinical
Structure Type MOL
InChI Key AQQUHMHOTJSMHT-BOXHHOBZSA-N
Parent Compound CHEMBL1963617
Active Moiety CHEMBL1963617
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
3.13
ALogP
2
HBA
2
HBD
57.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17ClN2O2
MW 364.83
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness 1.28

Activity Summary

IC50 5 meas. best 9.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 9.26 7.458 0.6 5

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 0.55 nM 9.26 Antimalarial activity against chloroquine- and mefloquine-resistant Plasmodium f... 21696970
Plasmodium falciparum IC50 = 38.0 nM 7.42 Antimalarial activity against chloroquine- and pyrimethamine-resistant Plasmodiu... 21696970
Plasmodium falciparum IC50 = 94.0 nM 7.03 Antimalarial activity against chloroquine- and mefloquine-resistant Plasmodium f... 21696970
Plasmodium falciparum IC50 = 105.0 nM 6.98 Antimalarial activity against chloroquine- and mefloquine-resistant Plasmodium f... 21696970
Plasmodium falciparum IC50 = 252.18 nM 6.6 Antimalarial activity against chloroquine- and mefloquine-resistant Plasmodium f... 21696970

Literature References

PubMed DOI Target Context # Activities
21696970 10.1016/j.bmc.2011.05.046 Plasmodium falciparum 7
21696970 10.1016/j.bmc.2011.05.046 L6 1
21696970 10.1016/j.bmc.2011.05.046 Unchecked 1

Data from ChEMBL 36 via Core Engine