기본 정보
- CAS
751477-01-7- 표준 SMILES
NCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1- InChIKey
BABFYCSPNDKXRI-UHFFFAOYSA-N- 분자식
- C25H33ClN4O2S
- 평균 분자량
- 489.1 g/mol
- 단동위원소 질량
- 488.2012752
개요
BL-1020 is a first in class novel compound for the treatment of schizophrenia. It is being developed by BioLineRx (BioLine).
이름 및 식별자
- 우선 이름
- Bl-1020
- IUPAC
- 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl 4-aminobutanoate
이름 및 동의어
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
이름 더 보기
BL-1020 (hydrochloride)SCHEMBL8250036CHEMBL1187646Q27281832
데이터베이스 식별자
- CAS
751477-01-7- PubChem CID
- 11203271
- DTXSID
DTXSID401336321- ChEMBL
CHEMBL1187646、CHEMBL513521- UNII
- K1WO7H97QZ
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 87.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 607
화학 및 산업
약리 정보
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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