Compound Detail
CHEMBL36398
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Basic Information
| ChEMBL ID | CHEMBL36398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROLWDPYWLDSZRY-GOTSBHOMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
441.6
MW (Da)
4.36
ALogP
5
HBA
3
HBD
94.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | IC50 | = | 150.0 | nM | 6.82 | In vitro inhibitory activity against collagen induced rabbit platelet aggregatio... | 9873372 |
| Unchecked | IC50 | = | 190.0 | nM | 6.72 | In vitro inhibitory activity against Adenosine diphosphate (ADP) induced rabbit ... | 9873372 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873372 | 10.1016/s0960-894x(98)00246-7 | Unchecked | 1 |
| 9873372 | 10.1016/s0960-894x(98)00246-7 | Oryctolagus cuniculus | 1 |
| 9873372 | 10.1016/s0960-894x(98)00246-7 | Mus musculus | 1 |
| 9873372 | 10.1016/s0960-894x(98)00246-7 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine