SELATOGREL

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 6DPK7O4PR7

Structure
InChI Key FYXHWMQPCJOJCH-GMAHTHKFSA-N
Smile 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

Action Mechanism of Action Reference
ANTAGONIST Purinergic receptor P2Y12 antagonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Nucleotide-like receptor (family A GPCR) Purine receptor
- - 1.5 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Myocardial Infarction 3 D009203 ClinicalTrials
Coronary Disease 2 D003327 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials

Cross References

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