UCSF

ZINC00004227

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 22 Yes

Popular Name: Ethopropazine hydrochloride Ethopropazine hydrochloride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1094-08-2 , 1094-08-2, 522-00-9 [etho , 1094-08-2, 522-00-9 [ethopropazine] , 522-00-9

Other Names:

(S)-ethopropazine; (alphaS)-N,N-diethyl-alpha-methyl-10H-phenothiazine

(S)-profenamine

10-(2-(Diethylamino)propyl)phenothiazine monohydrochloride; 10-Phenothiazineethylamine, N,N-diethyl-alpha-methyl-, hydrochloride; 10H-Phenothiazine-10-ethanamine, N,N-diethyl-alpha-methyl-, monohydrochloride; C19H24N2S.HCl; Dibutil; EINECS 214-134-4; ETHO

10-(2-(diethylamino)propyl)phenothiazine monohydrochloride; N,N-diethyl-alpha-methyl-10H-phenothiazine-10-ethylamine hydrochloride; N,N-diethyl-alpha-methyl-10H-phenothiazine-10-ethylamine monohydrochloride; ethopropazine HCl; ethopropazine hydrochloride

10-(2-Diethylaminopropyl)phenothiazine

10-(2-diethylaminopropyl)phenothiazine; 10-[2-(diethylamino)-1-propyl]phenothiazine; 10-[2-(diethylamino)-2-methylethyl]phenothiazine; 10-[2-(diethylamino)propyl]phenothiazine; 2-diethylamino-1-propyl-N-dibenzoparathiazine; N,N-diethyl-1-(10H-phenothiazin

10-[2-(Diethylamino)-1-Propyl]phenothiazine

10-[2-(Diethylamino)-2-methylethyl]phenothiazine

10-[2-(Diethylamino)propyl]phenothiazine

10-[2-DIETHYLAMINOPROPYL]PHENOTHIAZINE

1094-08-2; D01118; Ethopropazine hydrochloride; Parkin (TN); Parsidol (TN); Profenamine hydrochloride (JAN)

1094-08-2; Ethopropazine hydrochloride; Prestwick_195

10H-Phenothiazine-10-ethanamine, N,N-diethyl-.alpha.-methyl-

10H-Phenothiazine-10-ethanamine, N,N-diethyl-alpha-methyl-

10H-Phenothiazine-10-ethanamine,N,N-diethyl-a-methyl-,hydrochloride (1:1)

2-Diethylamino-1-propyl-N-dibenzoparathiazine

522-00-9

522-00-9; D08426; Profenamine (INN)

AB00053474

AC1L1FLK

Aethopropropazin

Aethopropropazin;Athapropazine;Athopropazin;Ethapropazine;Ethopromazine;Etopropezina;Fempropazine;Fenpropazina;Isopthazine;Isotazin;Isothazine;Isothiazine;Phenopropazine;Phenoprozine;Prodierazine;Profenamina [INN-Spanish];Profenamina [Italian];Profenamine

Athapropazine

Athopropazin

BAN

BAN); Ethopropazine HCl (FDA

BPBio1_000879

BSPBio_000799

BSPBio_002018

C19H24N2S

CHEBI:313639

CHEMBL1206

CID3290

D03276; Parkin (TN); Profenamine hibenzate (JAN)

D08426

DAP001119

DB00392

DCF

DCF); Ethopropazine HCl (FDA

Dibutil

DivK1c_000061

EINECS 208-320-4

Ethapropazine

Ethopromazine

Ethopropazine

Ethopropazine Hydrochloride (USP

Etopropezina

FDA); Profenamine (BAN

Fempropazine

Fenpropazina

IDI1_000061

INN); Profenamine Hibenzate (JAN); Profenamine Hydrochloride (JAN)

Isopthazine

Isotazin

Isothazine

Isothazine hydrochloride

Isothiazine

KBio1_000061

KBio2_001295

KBio2_003863

KBio2_006431

KBio3_001238

KBioGR_001215

KBioSS_001295

L001334

LS-105451

Lysivane

MFCD00012653

N,N-Diethyl-1-(10H-phenothiazin-10-yl)-2-propanamine

N,N-diethyl-1-(10H-phenothiazin-10-yl)propan-2-amine

N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine

N,N-Diethyl-alpha-methyl-10H-phenothiazine-10-ethanamine

NCGC00178860-03

nchembio.154-comp13

NCIOpen2_008174

NINDS_000061

Parcidol

Pardidol

Pardisol

Parfezin

Parfezine

Parkin

Parkisol

Parphezein

Parphezin

Parsidan

Parsidol

Parsitan

Parsotil

Phenopropazine

Phenoprozine

PHENOTHIAZINE, 10-(2-(DIETHYLAMINO)PROPYL)-

Prestwick0_000840

Prestwick1_000840

Prestwick2_000840

Prestwick3_000840

Prodictazin

Prodierazine

Profenamina

Profenamina [INN-Spanish]

Profenamina [Italian]

profenamina; profenamine; profenaminum

Profenamine

Profenamine (INN

Profenamine (INN)

Profenamine hydrochloride

Profenamine monohydrochloride

Profenamine [INN:BAN]

Profenaminum

Profenaminum [INN-Latin]

Prophenamine

Prophenaminum

Rochipel

Rocipel

Rodipal

RP 3356

SC 2538

SKF 2538

SPBio_001047

SPBio_002720

Spectrum2_000984

Spectrum3_000429

Spectrum4_000548

Spectrum5_001592

Spectrum_000815

Tomil

UNII-7WI4P02YN1

USP); Profenamine Hibenzate (JAN); Profenamine HCl (JAN)

W 483

Download: MOL2 SDF SMILES Flexibase

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) 5.19 12.18 -29.01 1 2 1 9 313.49 5 ↓
Hi High (pH 8-9.5) 5.19 10.45 -5.1 0 2 0 8 312.482 5 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 5.24e-03 g/l DrugBank-approved
Therapy antiparkinsonian, anticholinergic SMDC MicroSource

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACES-5-E Acetylcholinesterase (cluster #5 Of 12), Eukaryotic Eukaryotes 300 0.42 Binding ≤ 10μM
CHLE-1-E Butyrylcholinesterase (cluster #1 Of 7), Eukaryotic Eukaryotes 720 0.39 Binding ≤ 10μM
Q9N1N9-1-E Butyrylcholinesterase (cluster #1 Of 2), Eukaryotic Eukaryotes 20 0.49 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACES_HUMAN P22303 Acetylcholinesterase, Human 260 0.42 Binding ≤ 1μM
Q9N1N9_HORSE Q9N1N9 Butyrylcholinesterase, Horse 20 0.49 Binding ≤ 1μM
CHLE_HUMAN P06276 Butyrylcholinesterase, Human 20 0.49 Binding ≤ 1μM
CHLE_HORSE P81908 Cholinesterase, Horse 720 0.39 Binding ≤ 1μM
ACES_HUMAN P22303 Acetylcholinesterase, Human 260 0.42 Binding ≤ 10μM
CHLE_HUMAN P06276 Butyrylcholinesterase, Human 1600 0.37 Binding ≤ 10μM
Q9N1N9_HORSE Q9N1N9 Butyrylcholinesterase, Horse 20 0.49 Binding ≤ 10μM
CHLE_HORSE P81908 Cholinesterase, Horse 720 0.39 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Neurotransmitter Clearance In The Synaptic Cleft
Synthesis of PC
Synthesis, secretion, and deacylation of Ghrelin

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