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

CHEMBL4251191

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]1CC[C@@]2(C)C(C(=O)O)=CCC[C@H]2[C@]1(C)CCC1=CCOC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4251191
Phase Preclinical
Structure Type MOL
InChI Key WUUOACSBQPHDQM-NCJOTSGUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
4.11
ALogP
3
HBA
1
HBD
63.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H28O4
MW 332.44
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness 3.51

Activity Summary

EC50 1 meas. best 5.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-gated L-type calcium channel
CHEMBL2095177
 EC50 5.14 5.14 7300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Voltage-gated L-type calcium channel EC50 = 7300.0 nM 5.14 Inhibition of voltage-dependent L-type calcium channel in Wistar rat 3rd-order m... 30049584

Literature References

PubMed DOI Target Context # Activities
30049584 10.1016/j.bmc.2018.07.035 Voltage-gated L-type calcium channel 3
30049584 10.1016/j.bmc.2018.07.035 MCF7 1
30049584 10.1016/j.bmc.2018.07.035 A549 1
30049584 10.1016/j.bmc.2018.07.035 PC-3 1

Data from ChEMBL 36 via Core Engine