SELATOGREL

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Synonyms
Status
Molecule Category Free-form
UNII 6DPK7O4PR7

Structure

InChI Key FYXHWMQPCJOJCH-GMAHTHKFSA-N
Smiles CCCCOC(=O)N1CCN(C(=O)[C@H](CP(=O)(O)O)NC(=O)c2cc(N3CC[C@H](OC)C3)nc(-c3ccccc3)n2)CC1
InChI
InChI=1S/C28H39N6O8P/c1-3-4-16-42-28(37)33-14-12-32(13-15-33)27(36)23(19-43(38,39)40)30-26(35)22-17-24(34-11-10-21(18-34)41-2)31-25(29-22)20-8-6-5-7-9-20/h5-9,17,21,23H,3-4,10-16,18-19H2,1-2H3,(H,30,35)(H2,38,39,40)/t21-,23-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H39N6O8P
Molecular Weight 618.63
AlogP 1.73
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 11.0
Polar Surface Area 174.73
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 43.0

Pharmacology

Mechanism of Action Action Reference
Purinergic receptor P2Y12 antagonist ANTAGONIST PubMed PubMed Other PubMed

Target Conservation

Protein: Purinergic receptor P2Y12
Description: P2Y purinoceptor 12
Organism : Homo sapiens
Q9H244 ENSG00000169313

Cross References

Resources Reference
ChEMBL CHEMBL4297589
DrugBank DB15163
FDA SRS 6DPK7O4PR7
PubChem 59534142
SureChEMBL SCHEMBL2928412
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