Compound Detail
CHEMBL11765
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Basic Information
| ChEMBL ID | CHEMBL11765 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDYCQLVGOXQMNC-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
452.6
MW (Da)
5.33
ALogP
4
HBA
1
HBD
64.3
PSA (Ų)
0.39
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostacyclin receptor CHEMBL1995 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 6.89 | 6.6867 | 130.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostacyclin receptor | IC50 | = | 40.0 | nM | 7.4 | Compound was tested for its binding affinity against Prostaglandin I2 receptor u... | - |
| Homo sapiens | IC50 | = | 130.0 | nM | 6.89 | PGI-2 agonistic activity by measuring inhibition of 4 uM ADP-induced human plate... | - |
| Homo sapiens | IC50 | = | 130.0 | nM | 6.89 | Compound was tested for its inhibitory activity against 4 uM ADP-induced platele... | - |
| Homo sapiens | IC50 | = | 530.0 | nM | 6.28 | Compound was tested for its inhibitory activity against 4 uM ADP-induced platele... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00170-X | Homo sapiens | 2 |
| - | 10.1016/0960-894X(95)00171-O | Homo sapiens | 1 |
| - | 10.1016/0960-894X(95)00171-O | Thromboxane-A synthase | 1 |
| - | 10.1016/0960-894X(95)00170-X | Prostacyclin receptor | 1 |
Data from ChEMBL 36 via Core Engine