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

CHEMBL1088309

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
O=C(CCCCC(c1ccccc1)c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1088309
Phase Preclinical
Structure Type MOL
InChI Key YBINNPIWNMGBFX-NTCAYCPXSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

452.6
MW (Da)
6.24
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.34
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H36N2O
MW 452.64
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.48

Activity Summary

IC50 4 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-dependent L-type calcium channel subunit beta-1/alpha-1B/alpha-2/delta-1
CHEMBL3885653
 IC50 7.3 7.11 50.0 2
Unchecked
CHEMBL612545
 IC50 6.48 6.445 330.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Voltage-dependent L-type calcium channel subunit beta-1/alpha-1B/alpha-2/delta-1 IC50 = 50.0 nM 7.3 Blocking of rat N-type calcium channel alpha-1B/alpha-2-delta-1/beta-1b activity... 19815411
Voltage-dependent L-type calcium channel subunit beta-1/alpha-1B/alpha-2/delta-1 IC50 = 120.0 nM 6.92 Blocking of rat N-type calcium channel alpha-1B/alpha-2-delta-1/beta-1b activity... 19815411
Unchecked IC50 = 330.0 nM 6.48 Blocking of rat Voltage-dependent L-type calcium channel alpha1c/alpha2delta-1/b... 19815411
Unchecked IC50 = 390.0 nM 6.41 Blocking of rat Voltage-dependent L-type calcium channel alpha1c/alpha2delta-1/b... 19815411

Literature References

PubMed DOI Target Context # Activities
19815411 10.1016/j.bmcl.2009.09.008 Unchecked 4
19815411 10.1016/j.bmcl.2009.09.008 Voltage-dependent L-type calcium channel subunit beta-1/alpha-1B/alpha-2/delta-1 2

Data from ChEMBL 36 via Core Engine