Compound Detail
CHEMBL285821
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
O=C(O)C1=C/C(=N\C(S)=N\CCS(=O)(=O)N[C@@H](CNC(=O)c2ccc3c(c2)C(=O)N(CCC2CCNCC2)C3)C(=O)O)C=CC1=C1c2ccc(O)cc2Oc2cc(O)ccc21
Basic Information
| ChEMBL ID | CHEMBL285821 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGIVSKDXGJPHHL-OTOXEZQHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
871.0
MW (Da)
3.46
ALogP
11
HBA
8
HBD
256.6
PSA (Ų)
0.05
QED
3
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 31.0 | nM | 7.51 | Inhibition of human gel filtered platelet aggregation stimulated by ADP (10 mM) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00242-9 | Homo sapiens | 1 |
| - | 10.1016/0960-894X(96)00242-9 | Integrin alpha-IIb/beta-3 | 1 |
Data from ChEMBL 36 via Core Engine