Compound Detail
CHEMBL25676
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Basic Information
| ChEMBL ID | CHEMBL25676 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVZTYDSBCJWESI-SSZFMOIBSA-N |
5
Targets
6
Activities
3
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
346.3
MW (Da)
3.02
ALogP
7
HBA
1
HBD
111.3
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.97
EC50 2 meas. best 8.47
Ki 1 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.97 | 9.97 | 0.1 | 1 |
| Voltage-dependent L-type calcium channel subunit alpha-1D CHEMBL4132 | Ki | 8.92 | 8.92 | 1.2 | 1 |
| Voltage-dependent L-type calcium channel subunit alpha-1D CHEMBL4132 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 8.47 | 8.47 | 3.4 | 1 |
| Cavia porcellus CHEMBL369 | EC50 | 8.4 | 8.4 | 4.0 | 1 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.1072 | nM | 9.97 | Compound was tested for its antagonist activity against calcium channel | 2846838 |
| Voltage-dependent L-type calcium channel subunit alpha-1D | Ki | = | 1.2 | nM | 8.92 | Binding affinity for L-type [Ca2+] channels was measured through displacement of... | 9876109 |
| Voltage-dependent L-type calcium channel subunit alpha-1D | IC50 | = | 2.6 | nM | 8.59 | Inhibitory concentration for L-type [Ca2+] channels was measured through displac... | 9876109 |
| Rattus norvegicus | EC50 | = | 3.4 | nM | 8.47 | Vasodilator activity was measured on rat aorta in the presence of guanylate cycl... | 9876109 |
| Cavia porcellus | EC50 | = | 3.981 | nM | 8.4 | Effective concentration required to produce mechanical response determined in mu... | 2846838 |
| Oryctolagus cuniculus | IC50 | = | 4.0 | nM | 8.4 | Compound was tested for ability to relax potassium-contracted rabbit aorta smoot... | 2834556 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2834556 | 10.1021/jm00400a008 | Voltage-dependent L-type calcium channel subunit alpha-1C | 4 |
| 9876109 | 10.1021/jm9803267 | Rattus norvegicus | 2 |
| 9876109 | 10.1021/jm9803267 | Voltage-dependent L-type calcium channel subunit alpha-1D | 2 |
| 2329562 | 10.1021/jm00167a021 | Oryctolagus cuniculus | 1 |
| 2329562 | 10.1021/jm00167a021 | Canis familiaris | 1 |
| 10377225 | 10.1021/jm981114c | Voltage-gated L-type calcium channel | 1 |
| 10377225 | 10.1021/jm981114c | ADMET | 1 |
| 7057416 | 10.1021/jm00344a007 | Cavia porcellus | 1 |
| 7057416 | 10.1021/jm00344a007 | Voltage-gated L-type calcium channel | 1 |
| 2834556 | 10.1021/jm00400a008 | Oryctolagus cuniculus | 1 |
| 3560157 | 10.1021/jm00387a010 | Muscarinic acetylcholine receptor | 1 |
| 3560157 | 10.1021/jm00387a010 | Voltage-gated L-type calcium channel | 1 |
| 2846838 | 10.1021/jm00119a009 | Cavia porcellus | 1 |
| 2846838 | 10.1021/jm00119a009 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine