Compound Detail
CHEMBL5202516
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCCSc1nc(N/N=C/c2cccc(O)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1
Basic Information
| ChEMBL ID | CHEMBL5202516 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQIVLCQVQYHGQD-FSFJSPTJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
489.6
MW (Da)
0.92
ALogP
13
HBA
5
HBD
171.0
PSA (Ų)
0.12
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.24 | 6.24 | 580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 580.0 | nM | 6.24 | Antiplatelet activity against ADP-induced human platelet in platelet rich plasma... | 34458743 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34458743 | 10.1039/D1MD00128K | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine