Drug General Information
Drug ID
D0XE0X
Former ID
DCL000698
Drug Name
Aplindore fumarate
Synonyms
Aplindore; Aplindore fumarate (USAN); WAY-DAB-452; (2S)-2-[(benzylamino)methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one; (E)-but-2-enedioic acid; 8H-1,4-Dioxino(2,3-e)indol-8-one,2,3,7,9-tetrahydro-2-(((phenylmethyl)amino)methyl)-,2(S)-, (2E)-2-butenediotate (1:1)
Drug Type
Small molecular drug
Indication Schizophrenia [ICD9: 295; ICD10:F20] Phase 2 [536463]
Company
Wyeth
Structure
Download
2D MOL

3D MOL

Formula
C22H22N2O7
Canonical SMILES
C1C(OC2=C(O1)C=CC3=C2CC(=O)N3)CNCC4=CC=CC=C4.C(=CC(=O)O<br />)C(=O)O
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
InChIKey
GELJVTSEGKGLDF-QDSMGTAFSA-N
CAS Number
CAS 189681-71-8
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) D(2) dopamine receptor Target Info Agonist [536293], [536463]
KEGG Pathway Rap1 signaling pathway
cAMP signaling pathway
Neuroactive ligand-receptor interaction
Gap junction
Dopaminergic synapse
Parkinson's disease
Cocaine addiction
Alcoholism
PANTHER Pathway Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
Dopamine receptor mediated signaling pathway
Nicotine pharmacodynamics pathway
Reactome Dopamine receptors
G alpha (i) signalling events
WikiPathways Hypothetical Network for Drug Addiction
Monoamine GPCRs
GPCRs, Class A Rhodopsin-like
Genes and (Common) Pathways Underlying Drug Addiction
GPCR ligand binding
GPCR downstream signaling
Nicotine Activity on Dopaminergic Neurons
References
Ref 536463The pipeline and future of drug development in schizophrenia. Mol Psychiatry. 2007 Oct;12(10):904-22. Epub 2007 Jul 31.
Ref 536293Aplindore (DAB-452), a high affinity selective dopamine D2 receptor partial agonist. Eur J Pharmacol. 2006 Dec 15;552(1-3):36-45. Epub 2006 Sep 14.
Ref 536463The pipeline and future of drug development in schizophrenia. Mol Psychiatry. 2007 Oct;12(10):904-22. Epub 2007 Jul 31.

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