Compound Detail
CHEMBL1097279
CANGRELOR TETRASODIUM 💊 Approved Drug
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💊 Approved Drug
CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])C(Cl)(Cl)P(=O)([O-])[O-])[C@@H](O)[C@H]1O.[Na+].[Na+].[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL1097279 |
| Name | CANGRELOR TETRASODIUM |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | COWWROCHWNGJHQ-OPKBHZIBSA-J |
| Therapeutic | ✓ Yes |
| Parent Compound | CHEMBL334966 |
| Active Moiety | CHEMBL334966 |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
4
Known Names
4
Indications
1
Mechanisms
Molecular Properties
776.4
MW (Da)
2.85
ALogP
15
HBA
7
HBD
255.9
PSA (Ų)
0.05
QED
3
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2015 |
| Availability | Prescription |
| Chirality | Racemic |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Purinergic receptor P2Y12 antagonist | ANTAGONIST | P2Y purinoceptor 12 | ✓ | ✓ |
Indications
Acute Coronary Syndrome Myocardial Infarction Thrombosis Vascular Surgical Procedures
Activity Summary
IC50 4 meas. best 9.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.82 | 9.82 | 0.1 | 1 |
| Platelet CHEMBL4296519 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
| Uracil nucleotide/cysteinyl leukotriene receptor CHEMBL1075162 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
| P2Y purinoceptor 12 CHEMBL2001 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.15 | nM | 9.82 | Antagonist activity at human GPR17 R255I mutant expressed in human 1321N1 cells ... | 20394377 |
| Platelet | IC50 | = | 0.4 | nM | 9.4 | Inhibition of ADP-induced platelet aggregation in human platelet rich plasma | 22531380 |
| P2Y purinoceptor 12 | IC50 | = | 0.7 | nM | 9.15 | Antagonist activity at P2Y12 receptor by [35S]GTPgammaS binding assay | 20394377 |
| Uracil nucleotide/cysteinyl leukotriene receptor | IC50 | = | 0.7 | nM | 9.15 | Antagonist activity at human GPR17 expressed in human 1321N1 cells assessed as i... | 20394377 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20394377 | 10.1021/jm901691y | P2Y purinoceptor 12 | 1 |
| 20394377 | 10.1021/jm901691y | Uracil nucleotide/cysteinyl leukotriene receptor | 1 |
| 20394377 | 10.1021/jm901691y | Unchecked | 1 |
| 22531380 | 10.1016/j.ejmech.2012.03.047 | Platelet | 1 |
Data from ChEMBL 36 via Core Engine