UCSF

ZINC19228902

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 27 Yes

Popular Name: Perphenazine Perphenazine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2015-28-3 , 58-39-9 , [58-39-9]

Other Names:

.gamma.-[4-(.beta.-Hydroxyethyl)piperazin-1-yl]propyl-2-chlorophenothiazine

1',1-(2-Idrossietil)-4,3-(2-cloro-10-fenotiazil)propilpiperazina

1',1-(2-Idrossietil)-4,3-(2-cloro-10-fenotiazil)propilpiperazina [Italian]

1-(2-Hydroxyethyl)-4-(3-(2-chloro-10-phenothiazinyl)propyl)piperazine

1-(2-Hydroxyethyl)-4-[3-(2-chloro-10-phenothiazinyl)propyl]piperazine

1-Piperazineethanol, 4-(3-(2-chloro-10H-phenothiazin-10-yl)propyl)-

1-Piperazineethanol, 4-(3-(2-chlorophenothiazin-10-yl)propyl)-

1-Piperazineethanol, 4-(3-(2-chlorophenothiazin-10-yl)propyl)-, maleate; LS-112191; Perphenazine maleate

1-Piperazineethanol, 4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-

1-Piperazineethanol, 4-[3-(2-chlorophenothiazin-10-yl)propyl]-

1-Piperazineethanol, 4-[3-(2-chlorophenothiazin-10-yl)propyl]-, trihydrochloride

2-(4-(3-(2-Chloro-10H-phenothiazin-10-yl)propyl)piperazin-1-yl)ethanol

2-(4-[3-(2-Chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl)ethanol

2-(4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl)ethanol; 2-chloro-10-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propyl)phenothiazine; 4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1-piperazineethanol; 4-[3-(2-chlorophenothiazin-10-yl)propyl]-1-pi

2-Chloro-10-(3-(1-(2-hydroxyethyl)-4-piperazinyl)propyl)phenothiazine

2-Chloro-10-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propyl)phenothiazine

2-Chloro-10-3-(1-(2-hydroxyethyl)-4-piperazinyl)propyl phenothiazine

2-Chloro-10-3-[1-(2-hydroxyethyl)-4-piperazinyl]propyl phenothiazine

2-Chloro-10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]phenothiazine

2-[4-[3-(2-Chlorophenothiazin-10-yl)propyl]-piperazin-1-yl]ethanol

2-[4-[3-(2-Chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol

2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethan-1-ol

2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethanol

2-{4-[3-(2-Chloro-phenothiazin-10-yl)-propyl]-piperazin-1-yl}-ethanol

2015-28-3; D04965; PZC intramuscular injection (TN); Perphenazine dihydrochloride; Perphenazine hydrochloride

4-(3-(2-Chlorophenothiazin-10-yl)propyl)-1-piperazineethanol

4-(3-(2-Chlorophenothiazin-10-YL)propyl)-1-piperazineethanol; 58-39-9; C07427; Perphenazine

4-[3-(2-Chloro-10H-phenothiazin-10-yl)propyl]-1-piperazineethanol

4-[3-(2-Chlorophenothiazin-10-yl)propyl]-1-piperazineethanol

58-39-9

58-39-9; Perphenazine; Prestwick_536

AB00052390

AC-12196

AC1L1IVB

AI3-50151

AKOS000664046

AMITRIPTYLINE HYDROCHLORIDE; PERPHENAZINE; C21H26ClN3OS.C20H23N.Cl; ETRAFON 2-10; ETRAFON 2-25; ETRAFON-A; ETRAFON-FORTE; LS-178621; PERPHENAZINE AND AMITRIPTYLINE HCL; TRIAVIL 2-10; TRIAVIL 2-25; TRIAVIL 4-10; TRIAVIL 4-25; TRIAVIL 4-50

Apo-Perphenazine

BAN

BAS 00139131

BIDD:GT0150

BPBio1_000188

BRD-K10995081-001-05-5

BSPBio_000170

BSPBio_002376

C07427

C21H26ClN3OS

CAS-58-39-9

CHEBI:8028

CHEMBL567

Chlorperphenazine

Chlorperphenazine;Etaperazin;Etaperazine;Ethaperazine;Perfenazina;Perfenazine;Perphenazin;PZC

Chlorpiprazine

CID4748

CPD000058180

CPD000058180; PERPHENAZINE; SAM002264637

D00503

D010546

D02037; PZC (TN); Perphenazine maleate (JP16)

DAP000100

DB00850

Decentan

DivK1c_000880

EINECS 200-381-5

Emesinal

Etaperazin

Etaperazine

Ethaperazine

Etrafon-A

Etrafon-Forte

EU-0072164

EU-0100930

F-Mon

FDA

Fentazin

gamma-(4-(beta-Hydroxyethyl)piperazin-1-yl)propyl-2-chlorophenothiazine

HMS1568I12

HMS1922M14

HMS2093M15

HMS502L22

HSDB 3379

I06-1508

IDI1_000880

INN

JAN

KBio1_000880

KBio2_002090

KBio2_004658

KBio2_007226

KBio3_001596

KBioGR_001445

KBioSS_002090

L000919

LS-112185

MFCD00056798

MLS000069637

MLS001146929

MolPort-001-727-942

NCGC00015826-01

NCGC00015826-02

NCGC00015826-03

NCGC00015826-06

NCGC00015826-10

NCGC00024092-03

NCGC00024092-04

NCGC00024092-05

NCGC00024092-06

nchembio873-comp26

NINDS_000880

NSC 150866

NSC150866

Oprea1_603835

P 6402

P6402_SIGMA

Perfenazina

Perfenazina [INN-Spanish]

Perfenazina [Italian]

perfenazina; perphenazine; perphenazinum

Perfenazine

Perphenan

Perphenazin

Perphenazine (BAN

Perphenazine (FDA

Perphenazine (JP15/USP/INN)

Perphenazine maleate

Perphenazine [INN:BAN:JAN]

Perphenazine [Trilafon]

Perphenazinum

Perphenazinum [INN-Latin]

Piperazineethanol, 4-(3-(2-chloro-10H-phenothiazin-10-yl)propyl)-

Prestwick0_000125

Prestwick1_000125

Prestwick2_000125

Prestwick3_000125

Prestwick_536

PZC

QA-7905

SAM002264637

Sch 3940

SCH-3940

SMR000058180

SPBio_001603

SPBio_002109

SPECTRUM1503934

Spectrum2_001602

Spectrum3_000758

Spectrum4_000843

Spectrum5_001493

Spectrum_001610

SR-01000000137-4

STK019818

STOCK1S-21551

Thilatazin

Tranquisan

Trifaron

Trilafon

Trilafon-LA

Trilifan

Triphenot

UNII-FTA7XXY4EZ

USP); Perphenazine Fendizoate (JAN); Perphenazine Maleate (JAN)

WLN: T C666 BN ISJ EG B3- AT6N DNTJ D2Q

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.29 8.29 -46.51 2 4 1 33 404.987 6 ↓
Mid Mid (pH 6-8) 4.29 6.05 -7.56 1 4 0 32 403.979 6 ↓

Vendor Notes

Note Type Comments Provided By
mp 163 - 164 MolMall (formerly Molecular Diversity Preservation International)
ALOGPS_SOLUBILITY 2.37e-02 g/l DrugBank-approved
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
MP 95-99° Oakwood Chemical
Purity 98% Fluorochem
Therapy antipsychotic SMDC Iconix
Patent Database Links EP1181933; EP1547650; EP1621198; EP1627639; EP1671628; EP1712225; EP1815846; EP1829527; EP1829528; EP1829534; EP1844769; EP1990639; US2004142904; US2005009870; US2005014786; US2005080075; US2005080087; US2006063753; US2006166974; US2007183979; US200718398 ChEBI
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : P-5379 NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: P-5379 NIH Clinical Collection via PubChem
Indications schizophrenia, bipolar disorder KeyOrganics Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
5HT7R-1-E Serotonin 7 (5-HT7) Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 23 0.40 Binding ≤ 10μM
ADO-1-E Aldehyde Oxidase (cluster #1 Of 3), Eukaryotic Eukaryotes 740 0.32 ADME/T ≤ 10μM
PDR5-1-F Pleiotropic ABC Efflux Transporter Of Multiple Drugs (cluster #1 Of 1), Fungal Fungi 1400 0.30 Binding ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 3981 0.28 Functional ≤ 10μM
Z50466-4-O Trypanosoma Cruzi (cluster #4 Of 8), Other Other 5000 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
5HT7R_HUMAN P34969 Serotonin 7 (5-HT7) Receptor, Human 23 0.40 Binding ≤ 1μM
PDR5_YEAST P33302 Pleiotropic ABC Efflux Transporter Of Multiple Drugs, Yeast 1400 0.30 Binding ≤ 10μM
5HT7R_HUMAN P34969 Serotonin 7 (5-HT7) Receptor, Human 23 0.40 Binding ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 2511.88643 0.29 Functional ≤ 10μM
Z50466 Z50466 Trypanosoma Cruzi 5000 0.27 Functional ≤ 10μM
ADO_RAT Q9Z0U5 Aldehyde Oxidase, Rat 740 0.32 ADME/T ≤ 10μM
ADO_MACFA Q5FB27 Aldehyde Oxidase, Macfa 3600 0.28 ADME/T ≤ 10μM
ADO_HUMAN Q06278 Aldehyde Oxidase, Human 33 0.39 ADME/T ≤ 10μM
ADO_MOUSE O54754 Aldehyde Oxidase, Mouse 6100 0.27 ADME/T ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (s) signalling events
Serotonin receptors
Vitamins B6 activation to pyridoxal phosphate

Analogs ( Draw Identity 99% 90% 80% 70% )