Predicting blood-brain barrier permeation from three-dimensional molecular structure

Journal of Medicinal Chemistry

Volumn 43, Issue 11, 2000, Pages 2204-2216

  Crivori, Patrizia ^a   Cruciani, Gabriele ^b   Carrupt, Pierre Alain ^a   Testa, Bernard ^a  

^a UNIVERSITY OF LAUSANNE   (Switzerland)

^b UNIVERSITY OF PERUGIA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

1 (2,3 DIHYDRO 1 METHYL 2 OXO 5 PHENYL 1H 1,4 BENZODIAZEPIN 3 YL) 3 (3 METHYLPHENYL)UREA; 2 AMINO N [2 (3 HYDROXY 1 PYRROLIDINYL) 1 PHENYLETHYL] N METHYLPHENYLACETAMIDE; 3 [1 (3,4 DICHLORO N METHYLPHENYLACETAMIDO) 2 (1 PYRROLIDINYL)ETHYL]PHENOXYACETIC ACID; 3,4 DICHLORO N [1 ISOPROPYL 2 (1 PYRROLIDINYL)ETHYL] N METHYLBENZENEACETAMIDE; 3,4 DICHLORO N METHYL N [1 PHENYL 2 (1 PYRROLIDINYL)ETHYL]BENZENEACETAMIDE; 3,4 DICHLORO N METHYL N [2 (1 PYRROLIDINYL)CYCLOHEXYL]BENZAMIDE; 3,4 DICHLORO N METHYL N [2 (1 PYRROLIDINYL)CYCLOHEXYL]BENZENEACETAMIDE; 4 [(3,4 DICHLOROPHENYL)ACETYL] 3 (1 PYRROLIDINYLMETHYL) 1 PIPERAZINECARBOXYLIC ACID METHYL ESTER; 4 [3 [1 (3,4 DICHLORO N METHYLPHENYLACETAMIDO) 2 (1 PYRROLIDINYL)ETHYL]PHENOXY]BUTYRIC ACID; 5 [(3,4 DICHLOROPHENYL)ACETYL] 4,5,6,7 TETRAHYDRO 4 [(3 HYDROXY 1 PYRROLIDINYL)METHYL]FURO[3,2 C]PYRIDINE; 7 CHLORO 5,6 DIHYDRO 3 (5 ISOPROPYL 1,2,4 OXADIAZOL 3 YL) 5 METHYL 4H IMIDAZO[1,5 A][1,4]BENZODIAZEPIN 6 ONE; 8 [(3,4 DICHLOROPHENYL)ACETYL] 7 (1 PYRROLIDINYLMETHYL) 1,4 DIOXA 8 AZASPIRO[4.5]DECANE; ALPRAZOLAM; APOMORPHINE; ASIMADOLINE; CAFFEINE; CHLORPROMAZINE; CLOBAZAM; CLONIDINE; CYCLAZOCINE; DESIPRAMINE; DEVAZEPIDE; DIAZEPAM; DIPHENHYDRAMINE; DOXYLAMINE; ESTRADIOL; GR 85571; GR 88377; GR 94839; HALOPERIDOL; IMIPRAMINE; LEVALLORPHAN; MORPHINE; NALORPHINE; NORDAZEPAM; RP 60180; SB 201708; SB 204454; SB 204457; SB 204459; SB 204484; SB 205563; SB 205605; UNINDEXED DRUG;

ARTICLE; BLOOD BRAIN BARRIER; CHEMICAL STRUCTURE; DRUG DESIGN; MATHEMATICAL MODEL; NONHUMAN; PERMEABILITY; PHYSICAL CHEMISTRY; PREDICTION;

BLOOD-BRAIN BARRIER; DATABASES, FACTUAL; MODELS, CHEMICAL; MOLECULAR CONFORMATION; MULTIVARIATE ANALYSIS; PERMEABILITY; PHARMACEUTICAL PREPARATIONS; PHARMACOKINETICS; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 0034213636     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm990968+     Document Type: Article

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