Compound Detail
CHEMBL30395
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Basic Information
| ChEMBL ID | CHEMBL30395 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVALIYTWWUIPGC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
231.2
MW (Da)
1.06
ALogP
4
HBA
1
HBD
70.1
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane-A synthase CHEMBL1835 | IC50 | 7.25 | 7.25 | 56.0 | 1 |
| Cytochrome P450 11B1, mitochondrial CHEMBL4970 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane-A synthase | IC50 | = | 56.0 | nM | 7.25 | Inhibitory activity against thromboxane A2 synthetase | 3930740 |
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of rat adrenal 11-beta-hydroxylase | 3930740 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3930740 | 10.1021/jm00148a009 | Thromboxane-A synthase | 1 |
| 3930740 | 10.1021/jm00148a009 | Prostacyclin synthase | 1 |
| 3930740 | 10.1021/jm00148a009 | Prostaglandin G/H synthase (cyclooxygenase) | 1 |
| 3930740 | 10.1021/jm00148a009 | Cytochrome P450 11B1, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine