Compound Detail
CHEMBL440695
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Basic Information
| ChEMBL ID | CHEMBL440695 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJPHXNFMWVCEBX-FYWRMAATSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
393.4
MW (Da)
3.66
ALogP
7
HBA
1
HBD
114.5
PSA (Ų)
0.35
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | IC50 | 8.52 | 8.145 | 3.0 | 2 |
| Voltage-gated L-type calcium channel CHEMBL2095229 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | IC50 | = | 3.0 | nM | 8.52 | Compound was evaluated for vasorelaxant activity determined using potassium-depo... | - |
| Voltage-gated L-type calcium channel | IC50 | = | 17.0 | nM | 7.77 | In vitro vasorelaxant activity (calcium channel blocking activity) was determine... | 2391701 |
| Oryctolagus cuniculus | IC50 | = | 17.0 | nM | 7.77 | In vitro inhibition of potassium-contracted rabbit aorta strips | 1387168 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80810-6 | Oryctolagus cuniculus | 1 |
| 2391701 | 10.1021/jm00171a044 | Voltage-gated L-type calcium channel | 1 |
| 1387168 | 10.1021/jm00095a023 | Oryctolagus cuniculus | 1 |
| 1387168 | 10.1021/jm00095a023 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine