Compound Detail
CHEMBL2103828
ELINOGREL 🧪 Phase II
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🧪 Phase II
CNc1cc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2cc1F
Basic Information
| ChEMBL ID | CHEMBL2103828 |
| Name | ELINOGREL |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | LGSDFTPAICUONK-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
1
PK Parameters
20
Publications
4
Known Names
2
Indications
1
Mechanisms
Molecular Properties
524.0
MW (Da)
3.09
ALogP
8
HBA
4
HBD
142.2
PSA (Ų)
0.32
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Purinergic receptor P2Y12 antagonist | ANTAGONIST | P2Y purinoceptor 12 | ✓ | ✓ |
Indications
Myocardial Infarction Kidney Diseases
Activity Summary
IC50 3 meas. best 7.3
Ki 2 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 12 CHEMBL2001 | Ki | 7.64 | 7.64 | 23.0 | 2 |
| P2Y purinoceptor 12 CHEMBL2001 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Platelet CHEMBL4296519 | IC50 | 5.55 | 5.55 | 2810.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 12.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 12 | Ki | = | 23.0 | nM | 7.64 | Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed i... | 22984835 |
| P2Y purinoceptor 12 | Ki | = | 23.0 | nM | 7.64 | Binding affinity to P2Y12 (unknown origin) assessed as inhibition constant | 35640763 |
| P2Y purinoceptor 12 | IC50 | = | 50.0 | nM | 7.3 | Displacement of [3H]2MeSADP from human P2Y12 preincubated for 5 mins followed by... | 34731765 |
| Platelet | IC50 | = | 2810.0 | nM | 5.55 | Inhibition of ADP-stimulated platelet aggregation in human platelet rich plasma ... | 22984835 |
| Unchecked | IC50 | = | 10000.0 | nM | 5.0 | Antiplatelet activity in human platelet rich plasma assessed as inhibition of AD... | 34731765 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4689842 | HEK-293T | 10 |
| - | 10.6019/CHEMBL4689842 | U2OS | 9 |
| - | 10.6019/CHEMBL4689842 | Fibroblast | 9 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL5209801 | Free fatty acid receptor 4 | 2 |
| - | 10.6019/CHEMBL5209801 | Apelin receptor | 2 |
| - | 10.6019/CHEMBL5209801 | Beta-2 adrenergic receptor | 2 |
| - | 10.6019/CHEMBL5209801 | CX3C chemokine receptor 1 | 2 |
| - | 10.6019/CHEMBL5209801 | G-protein coupled receptor 35 | 2 |
| - | 10.6019/CHEMBL5209801 | Glucose-dependent insulinotropic receptor | 2 |
| - | 10.6019/CHEMBL5209801 | N-formyl peptide receptor 2 | 2 |
| - | 10.6019/CHEMBL5209801 | Type-1 angiotensin II receptor | 2 |
| - | 10.6019/CHEMBL5209801 | C5a anaphylatoxin chemotactic receptor 1 | 2 |
| - | 10.6019/CHEMBL5209801 | Glucagon-like peptide 1 receptor | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL5209801 | Adhesion G-protein coupled receptor F1 | 2 |
| - | 10.6019/CHEMBL5209801 | Sphingosine 1-phosphate receptor 1 | 2 |
| 27133596 | 10.1016/j.bmcl.2016.04.030 | P2Y purinoceptor 12 | 2 |
| - | 10.6019/CHEMBL3301361 | ADMET | 2 |
| - | 10.6019/CHEMBL5209801 | Alpha-2A adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine