Compound Detail
CHEMBL3906825
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Basic Information
| ChEMBL ID | CHEMBL3906825 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWDSGJQAZOIVIJ-MOPGFXCFSA-N |
3
Targets
3
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
4.90
ALogP
3
HBA
1
HBD
48.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent T-type calcium channel subunit alpha-1I CHEMBL5558 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Voltage-dependent T-type calcium channel subunit alpha-1H CHEMBL1859 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Voltage-dependent T-type calcium channel subunit alpha-1G CHEMBL4641 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 1250.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-dependent T-type calcium channel subunit alpha-1I | IC50 | = | 4.0 | nM | 8.4 | Channel blocking activity at recombinant human CaV 3.3 channel expressed in HEK2... | 27933950 |
| Voltage-dependent T-type calcium channel subunit alpha-1H | IC50 | = | 6.0 | nM | 8.22 | Channel blocking activity at recombinant human CaV 3.2 channel expressed in HEK2... | 27933950 |
| Voltage-dependent T-type calcium channel subunit alpha-1G | IC50 | = | 7.0 | nM | 8.15 | Channel blocking activity at recombinant human CaV 3.1 channel expressed in HEK2... | 27933950 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27933950 | 10.1021/acs.jmedchem.6b01356 | Voltage-dependent T-type calcium channel subunit alpha-1G | 1 |
| 27933950 | 10.1021/acs.jmedchem.6b01356 | Voltage-dependent T-type calcium channel subunit alpha-1H | 1 |
| 27933950 | 10.1021/acs.jmedchem.6b01356 | Voltage-dependent T-type calcium channel subunit alpha-1I | 1 |
| 27933950 | 10.1021/acs.jmedchem.6b01356 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine