| BioID | bio2834 |
|---|
| Name | CANGRELOR |
|---|
| ChEMBL ID | CHEMBL334966 |
|---|
| Molecular Formula | C17H25Cl2F3N5O12P3S2 |
|---|
| Molecular Weight | 776.37 |
|---|
| Molecular Weight (Monoisotopic) | 774.9483 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 4 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | AR-C69931XX|CANGRELOR |
|---|
| Smiles | 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 |
|---|
| Inchi | InChI=1S/C17H25Cl2F3N5O12P3S2/c1-43-5-3-23-12-9-13(26-15(25-12)44-4-2-16(20,21)22)27(7-24-9)14-11(29)10(28)8(38-14)6-37-42(35,36)39-41(33,34)17(18,19)40(30,31)32/h7-8,10-11,14,28-29H,2-6H2,1H3,(H,33,34)(H,35,36)(H,23,25,26)(H2,30,31,32)/t8-,10-,11-,14-/m1/s1 |
|---|
| Inchi Key | PAEBIVWUMLRPSK-IDTAVKCVSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 5.0 |
|---|
| Bioactivities | 10.0 |
|---|
| Np Likeness Score | 0.06 |
|---|
| Records Key | ['10l', 'CANGRELOR', 'Cangrelor', 'ARL 69931MX', 'Cangrelor', 'Cangrelor', 'CANGRELOR', 'Cangrelor', 'CANGRELOR', '6', '68'] |
|---|
| Records Name | ['Adenosine triphosphate derivative', 'CANGRELOR', 'Cangrelor', 'ARL 69931MX', 'Cangrelor', 'Cangrelor', 'CANGRELOR', 'Cangrelor', 'CANGRELOR', 'Cangrelor', 'Cangrelor'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
