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

CHEMBL283615

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
COc1ccc([C@@H]2Sc3ccccc3-n3c(CN(C)C)ccc3[C@@H]2OC(C)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL283615
Phase Preclinical
Structure Type MOL
InChI Key SNGKMEGHOVULOS-ZEQRLZLVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

422.6
MW (Da)
5.00
ALogP
6
HBA
0
HBD
43.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26N2O3S
MW 422.55
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.15

Activity Summary

IC50 1 meas. best 6.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-dependent L-type calcium channel subunit alpha-1D
CHEMBL4132
 IC50 6.87 6.87 134.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Voltage-dependent L-type calcium channel subunit alpha-1D IC50 = 134.9 nM 6.87 Inhibition of [3H]nitrendipine binding to L-type [Ca2+] channel in rat cortex ho... 9016337

Literature References

PubMed DOI Target Context # Activities
9016337 10.1021/jm9605647 Voltage-dependent L-type calcium channel subunit alpha-1D 1

Data from ChEMBL 36 via Core Engine