APLINDORE FUMARATE

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Synonyms
Status
Molecule Category Mixture
UNII P13TV5A758

Structure

InChI Key GELJVTSEGKGLDF-QDSMGTAFSA-N
Smiles O=C(O)/C=C/C(=O)O.O=C1Cc2c(ccc3c2O[C@@H](CNCc2ccccc2)CO3)N1
InChI
InChI=1S/C18H18N2O3.C4H4O4/c21-17-8-14-15(20-17)6-7-16-18(14)23-13(11-22-16)10-19-9-12-4-2-1-3-5-12;5-3(6)1-2-4(7)8/h1-7,13,19H,8-11H2,(H,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+/t13-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H22N2O7
Molecular Weight 426.43
AlogP 2.11
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 59.59
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 23.0

Pharmacology

Mechanism of Action Action Reference
Dopamine D2 receptor partial agonist PARTIAL AGONIST PubMed

Target Conservation

Protein: Dopamine D2 receptor
Description: D(2) dopamine receptor
Organism : Homo sapiens
P14416 ENSG00000149295

Cross References

Resources Reference
ChEMBL CHEMBL2104864
FDA SRS P13TV5A758
PubChem 6440763
SureChEMBL SCHEMBL1231153
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