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

CHEMBL2392658

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
Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2C)c(C)c(C(C)(C)C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2392658
Phase Preclinical
Structure Type MOL
InChI Key KCWYCXOREJUHSL-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.6
MW (Da)
7.11
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.55
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H36
MW 336.56
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.05

Activity Summary

IC50 1 meas. best 5.44
Ki 1 meas. best 6.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 6.16 6.16 700.0 1
Unchecked
CHEMBL612545
 IC50 5.44 5.44 3600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 700.0 nM 6.16 Inhibition of rat skeletal muscle sarco/endoplasmic reticulum calcium ATPase 23643898
Unchecked IC50 = 3600.0 nM 5.44 Inhibition of rabbit skeletal muscle sarco/endoplasmic reticulum calcium ATPase ... 23643898

Literature References

PubMed DOI Target Context # Activities
23643898 10.1016/j.bmc.2013.04.012 Unchecked 2

Data from ChEMBL 36 via Core Engine