Compound Detail
CHEMBL336560
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C=CCNc1nc(N2CCC(NCC3c4ccccc4CCc4cc(OC)c(OC)c(OC)c43)CC2)nc2c1ncn2CC=C
Basic Information
| ChEMBL ID | CHEMBL336560 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLGUOWFHHASVGA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
609.8
MW (Da)
5.13
ALogP
10
HBA
2
HBD
98.6
PSA (Ų)
0.21
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent L-type calcium channel subunit alpha-1S CHEMBL4108 | Ki | 7.0 | 7.0 | 99.0 | 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-1S | Ki | = | 99.0 | nM | 7.0 | Inhibition of [3H]D-888 binding to L-type [Ca2+] channel of membranes from rat s... | 8831775 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8831775 | 10.1021/jm960361i | P388 | 2 |
| 8831775 | 10.1021/jm960361i | KB | 2 |
| 8831775 | 10.1021/jm960361i | Voltage-dependent L-type calcium channel subunit alpha-1S | 1 |
| 8831775 | 10.1021/jm960361i | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine