Compound Detail
CHEMBL118083
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Basic Information
| ChEMBL ID | CHEMBL118083 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODMLXVDAHFMQTE-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
5.81
ALogP
3
HBA
1
HBD
63.3
PSA (Ų)
0.41
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.8
IC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 4.8 | 4.8 | 16000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 16000.0 | nM | 4.8 | Antiaggregatory activity in platelet rich human plasma | 21413808 |
| Unchecked | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of ADP-induced human platelet aggregation. | 1404230 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1404230 | 10.1021/jm00097a006 | Unchecked | 1 |
| 21413808 | 10.1021/jm1013693 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine