Compound Detail
CHEMBL1202756
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Basic Information
| ChEMBL ID | CHEMBL1202756 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMZOCZYJIWPQIZ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL56718 |
| Active Moiety | CHEMBL56718 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
3.69
ALogP
6
HBA
1
HBD
81.3
PSA (Ų)
0.37
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane-A synthase CHEMBL1835 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Cavia porcellus CHEMBL369 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane-A synthase | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of human platelet thromboxane synthase (TXA2) was determined in human... | 2879917 |
| Cavia porcellus | IC50 | = | 9000.0 | nM | 5.05 | Evaluated for inhibition of slow reacting substance of anaphylaxis (SRS-A) induc... | 2879917 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2879917 | 10.1021/jm00384a031 | Cavia porcellus | 1 |
| 2879917 | 10.1021/jm00384a031 | Thromboxane-A synthase | 1 |
Data from ChEMBL 36 via Core Engine