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

CHEMBL442960

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
CC1(C)CCC2(CC1)OOC1(CCC(C)(C)CC1)OO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL442960
Phase Preclinical
Structure Type MOL
InChI Key RDJICQBJWSYNGD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

284.4
MW (Da)
4.49
ALogP
4
HBA
0
HBD
36.9
PSA (Ų)
0.61
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 C16H28O4
MW 284.40
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 0.84

Activity Summary

IC50 1 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 8.7 8.7 2.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 2.0 nM 8.7 Evaluated for the neurotoxicity against NB2a Neuroblastoma cells. 10893313

Literature References

PubMed DOI Target Context # Activities
10893313 10.1021/jm0000766 Plasmodium falciparum 2
10893313 10.1021/jm0000766 Unchecked 1

Data from ChEMBL 36 via Core Engine