Compound Detail
CHEMBL29374
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Basic Information
| ChEMBL ID | CHEMBL29374 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLGCGDNKOCLHIH-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
393.9
MW (Da)
3.19
ALogP
3
HBA
2
HBD
83.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.59
Kd 1 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | Kd | 9.4 | 9.4 | 0.4 | 1 |
| Thromboxane A2 receptor CHEMBL2069 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | Kd | = | 0.3981 | nM | 9.4 | Compound was tested for inhibition of U-46,619 induced contraction of isolated r... | 9871769 |
| Thromboxane A2 receptor | IC50 | = | 2.6 | nM | 8.59 | Inhibition of human TP receptor expressed in QBI-HEK 293A cells assessed as IP3 ... | 25127105 |
| Homo sapiens | IC50 | = | 110.0 | nM | 6.96 | Compound was tested for inhibition of U-46,619 induced aggregation of human plat... | 9871769 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871769 | 10.1016/s0960-894x(98)00220-0 | Oryctolagus cuniculus | 1 |
| 9871769 | 10.1016/s0960-894x(98)00220-0 | Cavia porcellus | 1 |
| 9871769 | 10.1016/s0960-894x(98)00220-0 | Homo sapiens | 1 |
| 25127105 | 10.1016/j.bmcl.2014.07.047 | Thromboxane A2 receptor | 1 |
Data from ChEMBL 36 via Core Engine