Compound Detail
CHEMBL341438
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C=CCNc1nc(N2CCC(NCC3c4ccccc4CCc4cc(OC)ccc43)CC2)c2ncn(CC=C)c2n1
Basic Information
| ChEMBL ID | CHEMBL341438 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZPHYDNRAUDIRI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
549.7
MW (Da)
5.11
ALogP
8
HBA
2
HBD
80.1
PSA (Ų)
0.27
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent L-type calcium channel subunit alpha-1S CHEMBL4108 | Ki | 6.96 | 6.96 | 110.0 | 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 | = | 110.0 | nM | 6.96 | 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