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Quick search ChEMBL 36
Compound Detail

CHEMBL253677

5'-PRENYLBUTEIN
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CC(C)=CCc1cc(/C=C/C(=O)c2ccc(O)cc2O)cc(O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL253677
Name 5'-PRENYLBUTEIN
Phase Preclinical
Structure Type MOL
InChI Key XHTOWVVXFDSBGH-XBXARRHUSA-N
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
3.91
ALogP
5
HBA
4
HBD
98.0
PSA (Ų)
0.29
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 C20H20O5
MW 340.38
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 1.50

Activity Summary

IC50 5 meas. best 4.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 4.99 4.99 10300.0 5

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 10300.0 nM 4.99 Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum D6 17112640
Plasmodium falciparum IC50 = 10300.0 nM 4.99 Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2 17112640
Plasmodium falciparum IC50 = 10300.0 nM 4.99 Antimalarial activity against chloroquine-resistant Plasmodium falciparum D6 20022412
Plasmodium falciparum IC50 = 10300.0 nM 4.99 Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 20022412
Plasmodium falciparum IC50 = 10300.0 nM 4.99 Antimalarial activity against Plasmodium falciparum 19299148

Literature References

PubMed DOI Target Context # Activities
20934335 10.1016/j.bmcl.2010.09.077 Neuraminidase 3
21123068 10.1016/j.bmcl.2010.11.016 Neuraminidase 3
17112640 10.1016/j.ejmech.2006.09.019 Plasmodium falciparum 2
20022412 10.1016/j.ejmech.2009.11.022 Plasmodium falciparum 2
19299148 10.1016/j.bmc.2009.02.050 Plasmodium falciparum 1
21123068 10.1016/j.bmcl.2010.11.016 Sialidase 1

Data from ChEMBL 36 via Core Engine