Compound Detail
CHEMBL4804130
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Basic Information
| ChEMBL ID | CHEMBL4804130 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHZTZFKLPQENCC-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
422.5
MW (Da)
3.91
ALogP
4
HBA
3
HBD
112.0
PSA (Ų)
0.27
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent T-type calcium channel subunit alpha-1H CHEMBL1859 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Voltage-dependent N-type calcium channel subunit alpha-1B CHEMBL4478 | IC50 | 4.47 | 4.47 | 34000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.5 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-dependent T-type calcium channel subunit alpha-1H | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of human Cav3.2 expressed in HEK293T cells assessed as inhibition of ... | 38516585 |
| Voltage-dependent N-type calcium channel subunit alpha-1B | IC50 | = | 34000.0 | nM | 4.47 | Inhibition of human Cav2.2 expressed in HEK293T cells assessed as inhibition of ... | 38516585 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38516585 | 10.1039/d3md00714f | Voltage-dependent N-type calcium channel subunit alpha-1B | 2 |
| 38516585 | 10.1039/d3md00714f | Voltage-dependent T-type calcium channel subunit alpha-1H | 1 |
| 38516585 | 10.1039/d3md00714f | ADMET | 1 |
Data from ChEMBL 36 via Core Engine