Compound Detail
CHEMBL298130
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Basic Information
| ChEMBL ID | CHEMBL298130 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDQMLODRNDPFTE-KDQGZUQZSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
285.4
MW (Da)
4.02
ALogP
2
HBA
1
HBD
50.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.11
Kd 1 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane-A synthase CHEMBL1835 | IC50 | 7.11 | 7.11 | 78.0 | 1 |
| Canis familiaris CHEMBL373 | Kd | 6.48 | 6.48 | 331.1 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 5.42 | 5.17 | 3850.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane-A synthase | IC50 | = | 78.0 | nM | 7.11 | In vitro inhibition of thromboxane synthase using [14C]arachidonic acid | 1829485 |
| Canis familiaris | Kd | = | 331.13 | nM | 6.48 | In vitro inhibition of U 46619 induced contraction of dog saphenous vein | 1829485 |
| Homo sapiens | IC50 | = | 3850.0 | nM | 5.42 | In vitro inhibition of U 46619 induced aggregation of washed human platelets | 1829485 |
| Homo sapiens | IC50 | = | 12100.0 | nM | 4.92 | In vitro inhibition of U 46619 induced aggregation of human PRP | 1829485 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1829485 | 10.1021/jm00110a006 | Homo sapiens | 2 |
| 1829485 | 10.1021/jm00110a006 | Thromboxane-A synthase | 1 |
| 1829485 | 10.1021/jm00110a006 | Canis familiaris | 1 |
Data from ChEMBL 36 via Core Engine