Tìm theo
ACP-103
Thuốc Gốc
Small Molecule
CTHH: C54H74F2N6O10
PTK: 1005.1964
ACP-103 is a potent and selective 5-HT2A inverse agonist, as a co-therapy for schizophrenia. ACP-103 is a novel therapy for schizophrenia to be used in combination with currently available antipsychotic drugs including haloperidol, Zyprexa, Risperdal and Seroquel.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C54H74F2N6O10
Phân tử khối
1005.1964
Monoisotopic mass
1004.543449028
InChI
InChI=1S/2C25H34FN3O2.C4H6O6/c2*1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21;5-1(3(7)8)2(6)4(9)10/h2*4-11,19,23H,12-18H2,1-3H3,(H,27,30);1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1
InChI Key
InChIKey=RGSULKHNAKTFIZ-CEAXSRTFSA-N
IUPAC Name
(2R,3R)-2,3-dihydroxybutanedioic acid; bis(3-[(4-fluorophenyl)methyl]-3-(1-methylpiperidin-4-yl)-1-{[4-(2-methylpropoxy)phenyl]methyl}urea)
Traditional IUPAC Name
(+)-tartaric acid; bis(3-[(4-fluorophenyl)methyl]-3-(1-methylpiperidin-4-yl)-1-{[4-(2-methylpropoxy)phenyl]methyl}urea)
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.CC(C)COC1=CC=C(CNC(=O)N(CC2=CC=C(F)C=C2)C2CCN(C)CC2)C=C1.CC(C)COC1=CC=C(CNC(=O)N(CC2=CC=C(F)C=C2)C2CCN(C)CC2)C=C1
logP
4.01
pKa (strongest acidic)
14.66
pKa (Strongest Basic)
8.44
PSA
44.81 Å2
Refractivity
122.93 m3·mol-1
Polarizability
48.37 Å3
Rotatable Bond Count
19
H Bond Acceptor Count
3
H Bond Donor Count
1
Physiological Charge
1
Number of Rings
6
Bioavailability
0
MDDR-Like Rule
true
Cơ Chế Tác Dụng : ACP-103 is a potent and selective 5-HT2A inverse agonist, as a co-therapy for schizophrenia. ACP-103 is a novel therapy for schizophrenia to be used in combination with currently available antipsychotic drugs including haloperidol, Zyprexa, Risperdal and Seroquel. ACP-103 reduces haloperidol-induced akathisia, a debilitating extrapyramidal side effect (EPS), in patients with schizophrenia. ACP-103 is a 5-HT2A inverse agonist, to reduce the side effects associated with antipsychotic drug treatment with haloperidol. ACP-103 reduced both the motor disturbances and hyperprolactinemia, a condition of elevated prolactin secretion, caused by haloperidol treatment.
Chỉ Định : Investigated for use/treatment in neurologic disorders, parkinson's disease, psychosis, schizophrenia and schizoaffective disorders, and sleep disorders.
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB05316
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=11672491
ChemSpider
http://www.chemspider.com/Chemical-Structure.9847221.html
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