Compound Detail
CHEMBL320995
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Basic Information
| ChEMBL ID | CHEMBL320995 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPPFLFLMNSMLEQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
240.2
MW (Da)
0.45
ALogP
5
HBA
0
HBD
87.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 4.36 | 4.36 | 44000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 44000.0 | nM | 4.36 | Inhibition of arachidonic acid (AA) induced human platelet aggregation. | 1324320 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1324320 | 10.1021/jm00095a028 | Homo sapiens | 1 |
| 20684594 | 10.1021/jm100066y | ATP-dependent translocase ABCB1 | 1 |
| 20684594 | 10.1021/jm100066y | Multidrug resistance-associated protein 1 | 1 |
Data from ChEMBL 36 via Core Engine