Compound Detail
CHEMBL96097
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(NC[C@H](NS(=O)(=O)c1ccccc1)C(=O)O)c1cc2cc(OCC3CCNCC3)ccc2[nH]1
Basic Information
| ChEMBL ID | CHEMBL96097 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CFKZYRJYUHWTIW-QFIPXVFZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
500.6
MW (Da)
1.71
ALogP
6
HBA
5
HBD
149.6
PSA (Ų)
0.28
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 13.0 | nM | 7.89 | Inhibition of ADP-induced platelet aggregation in human gel-filtered platelets | - |
| Integrin alpha-IIb/beta-3 | IC50 | = | 13.0 | nM | 7.89 | In vitro inhibition of gel filtered platelet aggregation induced by ADP. | 10999999 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10999999 | 10.1021/jm000022w | Integrin alpha-IIb/beta-3 | 3 |
| - | 10.1016/S0960-894X(97)10085-3 | Homo sapiens | 1 |
| - | 10.1016/S0960-894X(97)10085-3 | Integrin alpha-IIb/beta-3 | 1 |
| - | 10.1016/S0960-894X(97)10085-3 | Albumin | 1 |
Data from ChEMBL 36 via Core Engine