Compound Detail
CHEMBL281311
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
COC1(OC)C=CC(C2(C3=CCC(OC)(OC)C=C3)Sc3ccc(C(F)(F)F)cc3-n3cccc32)=CC1
Basic Information
| ChEMBL ID | CHEMBL281311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNMCYMBWTDMPGV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
531.6
MW (Da)
6.55
ALogP
6
HBA
0
HBD
41.9
PSA (Ų)
0.40
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent L-type calcium channel subunit alpha-1D CHEMBL4132 | IC50 | 5.3 | 5.3 | 5011.9 | 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 | = | 5011.87 | nM | 5.3 | 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