Compound Detail
CHEMBL94457
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Basic Information
| ChEMBL ID | CHEMBL94457 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJNCIGVHDLBFBA-GFCCVEGCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
1.73
ALogP
5
HBA
3
HBD
98.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 220.0 | nM | 6.66 | Compound was evaluated for inhibition of ex vivo ADP mediated platelet aggregati... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00511-2 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine