Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL278291

WR-148999
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
C[C@@H]1CCCCC12OOC1(CCCC[C@@H]1C)OO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL278291
Name WR-148999
Phase Preclinical
Structure Type MOL
InChI Key IEJOGNKZBRUBBL-VTXSZYRJSA-N
2
Targets
11
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names

Molecular Properties

256.3
MW (Da)
3.71
ALogP
4
HBA
0
HBD
36.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H24O4
MW 256.34
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 0.85

Activity Summary

IC50 11 meas. best 8.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 8.47 7.733 3.4 10
Unchecked
CHEMBL612545
 IC50 8.08 8.08 8.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 3.4 nM 8.47 In vivo antimalarial activity against Plasmodium falciparum W-2 1501229
Plasmodium falciparum IC50 = 6.9 nM 8.16 In vivo antimalarial activity against Plasmodium falciparum D6 1501229
Plasmodium falciparum IC50 = 7.3 nM 8.14 Antimalarial activity against Plasmodium falciparum W2 33508479
Unchecked IC50 = 8.4 nM 8.08 Evaluated for the neurotoxicity against NB2a Neuroblastoma cells. 10893313
Plasmodium falciparum IC50 = 8.4 nM 8.08 Antimalarial activity against Plasmodium falciparum D6 33508479
Plasmodium falciparum IC50 = 28.0 nM 7.55 In vitro antimalarial activity against chloroquine-resistant Plasmodium falcipar... 10212135
Plasmodium falciparum IC50 = 32.0 nM 7.5 In vitro antimalarial activity against Plasmodium falciparum W2 (Indochina) 10737758
Plasmodium falciparum IC50 = 32.0 nM 7.5 Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 10893313
Plasmodium falciparum IC50 = 39.0 nM 7.41 In vitro antimalarial activity against drug-resistant Plasmodium falciparum NF54 10212135
Plasmodium falciparum IC50 = 55.0 nM 7.26 In vitro antimalarial activity against Plasmodium falciparum D6 (Sierra Leone) 10737758
Plasmodium falciparum IC50 = 55.0 nM 7.26 Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6 10893313

Literature References

PubMed DOI Target Context # Activities
1501229 10.1021/jm00094a015 Mus musculus 12
10212135 10.1021/jm980698f Mus musculus 4
1501229 10.1021/jm00094a015 Plasmodium falciparum 2
10737758 10.1021/jm990530+ Plasmodium falciparum 2
10212135 10.1021/jm980698f Plasmodium falciparum 2
10893313 10.1021/jm0000766 Plasmodium falciparum 2
10893313 10.1021/jm0000766 Mus musculus 2
17485500 10.1128/aac.00264-07 Plasmodium falciparum 2
17485500 10.1128/aac.00264-07 Plasmodium berghei 2
20943385 10.1016/j.bmcl.2010.09.113 Plasmodium falciparum 2
33508479 10.1016/j.ejmech.2021.113193 Plasmodium falciparum 2
1501229 10.1021/jm00094a015 Plasmodium berghei 1
1501229 10.1021/jm00094a015 Unchecked 1
10893313 10.1021/jm0000766 Unchecked 1
20943385 10.1016/j.bmcl.2010.09.113 Plasmodium berghei 1

Data from ChEMBL 36 via Core Engine