基本情報
- CAS
751477-01-7- 標準SMILES
NCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1- InChIKey
BABFYCSPNDKXRI-UHFFFAOYSA-N- 分子式
- C25H33ClN4O2S
- 平均分子量
- 489.1 g/mol
- 単同位体質量
- 488.2012752
概要
BL-1020 is a first in class novel compound for the treatment of schizophrenia. It is being developed by BioLineRx (BioLine).
名称と識別子
- 優先名称
- Bl-1020
- IUPAC
- 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl 4-aminobutanoate
名称と別名
Perphenazine 4-aminobutyrateBL-1020K1WO7H97QZBL 1020751477-01-7DTXSID401336321Butanoic acid, 4-amino-, 2-(4-(3-(2-chloro-10H-phenothiazin-10-yl)propyl)-1-piperazinyl)ethyl esterBL1020RefChem:120589DTXCID701766498perphenazine GABA esterUNII-K1WO7H97QZ
名称をさらに表示
BL-1020 (hydrochloride)SCHEMBL8250036CHEMBL1187646Q27281832
データベース識別子
- CAS
751477-01-7- PubChem CID
- 11203271
- DTXSID
DTXSID401336321- ChEMBL
CHEMBL1187646、CHEMBL513521- UNII
- K1WO7H97QZ
物性
構造計算による物性
- XLogP
- 4.1
- 極性表面積
- 87.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 7
- 回転可能結合数
- 11
- 重原子数
- 33
- 形式電荷
- 0
- 複雑度
- 607
化学と産業
薬理情報
Pharmacodynamics
Extensive preclinical testing of BL-1020 has shown it to have a positive safety and pharmacokinetic profile. BL-1020 reduces dopamine activity while avoiding the side affects associated with unmitigated dopamine blockade. In animal models of schizophrenia, BL-1020 reduces behaviors characteristic of psychosis and causes minimal or no impairment of movement, the most severe side effect of classic antipsychotic drugs. Biochemical testing confirms that BL-1020 works via the mechanism previously established for classic antipsychotics. BL-1020 is structurally and mechanistically distinct from the atypical antipsychotics and is not anticipated to trigger diabetes or elevated cholesterol. Preliminary studies do not reveal toxicity.
Mechanism of Action
In radioligand binding studies, BL-1020 displayed strong interaction with dopamine receptors especially D<sub>2L</sub> and D<sub>2S</sub> (K<sub>i</sub> of 0.27 nM and 0.17 nM respectively), the serotonin receptor 5-HY<sub>2a</sub> (K<sub>i</sub> 0.25 nM) as well as moderate interaction with the GABAA receptor (K<sub>i</sub> 3.29 microK).
Metabolism/MetabolitesBL-1020, after oral administration, crosses the blood brain barrier intact and is metabolized to GABA and perphenazine.
Absorption, Distribution and ExcretionOrally available.
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