Compound Detail
CHEMBL346820
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Basic Information
| ChEMBL ID | CHEMBL346820 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPAAMXKQIPKKAT-ONEGZZNKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
250.3
MW (Da)
3.14
ALogP
2
HBA
1
HBD
42.0
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 5.21 | 4.615 | 6200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 6200.0 | nM | 5.21 | In vitro inhibition of ADP-induced aggregation of human PRP in the presence of p... | 1311763 |
| Homo sapiens | IC50 | = | 95000.0 | nM | 4.02 | Inhibition of ADP-induced aggregation of human PRP in the absence of pig aortal ... | 1311763 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1311763 | 10.1021/jm00082a002 | Rattus norvegicus | 6 |
| 1311763 | 10.1021/jm00082a002 | Homo sapiens | 3 |
Data from ChEMBL 36 via Core Engine