Compound Detail
CHEMBL57736
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Basic Information
| ChEMBL ID | CHEMBL57736 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKFAYNBLUNPUHN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
4.12
ALogP
5
HBA
1
HBD
76.4
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane-A synthase CHEMBL1835 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Platelet-activating factor receptor CHEMBL250 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| Cavia porcellus CHEMBL369 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane-A synthase | IC50 | = | 200.0 | nM | 6.7 | Inhibition of human platelet thromboxane synthase (TXA2) was determined in human... | 2879917 |
| Platelet-activating factor receptor | IC50 | = | 350.0 | nM | 6.46 | Ability to inhibit platelet activating factor (PAF) binding to platelets by 50% ... | 3339617 |
| Cavia porcellus | IC50 | = | 1000.0 | nM | 6.0 | 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 | 7 |
| 2879917 | 10.1021/jm00384a031 | Thromboxane-A synthase | 1 |
| 3339617 | 10.1021/jm00397a034 | Platelet-activating factor receptor | 1 |
| 3339617 | 10.1021/jm00397a034 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine