UCSF

ZINC22446674

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 27 Yes

Popular Name: Thiethylperazine Thiethylperazine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1179-69-7 , 1420-55-9 , 52239-63-1

Other Names:

10H-Phenothiazine, 2-(ethylthio)-10-(3-(4-methyl-1-piperazinyl)propyl)-

10H-Phenothiazine, 2-(ethylthio)-10-(3-(4-methyl-1-piperazinyl)propyl)-, (Z)-2-butenedioate; 10H-Phenothiazine, 2-(ethylthio)-10-(3-(4-methyl-1-piperazinyl)propyl)-, (Z)-2-butenedioate (1:2); 2-(Ethylthio)-10-(3-(4-methyl-1-piperazinyl)propyl)phenothiazin

10H-Phenothiazine, 2-(ethylthio)-10-(3-(4-methyl-1-piperazinyl)propyl)-, 2-hydroxy-1,4-butanedioate (1:2); 2-(Ethylthio)-10-(3-(4-methyl-1-piperazinyl)propyl)phenothiazine malate (1:2); Butanedioic acid, hydroxy-, compd. with 2-(ethylthio)-10-(3-(4-methyl

10H-Phenothiazine, 2-(ethylthio)-10-[3-(4-methyl-1-piperazinyl)propyl]-

10H-Phenothiazine, 2-(ethylthio)-10-[3-(4-methyl-1-piperazinyl)propyl]-, (Z)-2-butenedioate (1:2)

1179-69-7 (maleate (1:2))

1420-55-9

1420-55-9; C07132; Ethylthioperazine; Thiethylperazine

1420-55-9; D02354; Thiethylperazine (USAN/INN)

2-(ethylsulfanyl)-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine

2-(Ethylthio)-10-(3-(4-methyl-1-piperazinyl)propyl)phenothiazine

2-(ethylthio)-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine

2-(ethylthio)-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine; 3-Ethylmercapto-10-(1'-methylpiperazinyl-4'-propyl)phenothiazine; Ethylthioperazine; Thiethylperazine

2-ethylsulfanyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine

3-Ethylmercapto-10-(1'-methylpiperazinyl-4'-propyl)phenothiazine

52239-63-1 (malate (1:2))

52239-63-1; D02610; Thiethylperazine malate; Thietylperazine malate (JAN); Torecan (TN)

AB00514742

AC1L1KCZ

C07132

C22H29N3S2

CHEBI:9544

CHEMBL1378

CID5440

D02354

DAP000315

DB00372

EINECS 215-819-0

Ethylthioperazine

Ethylthioperazine;Theithylperazine

FDA); Thietylperazine Malate (JAN); Thiethylperazine Maleate (FDA

GS-95

GS-95 (*Dimaleate*)

HSDB 3400

INN

L000871

LS-105543

Norzine

Norzine (*Dimaleate*)

NSC130044

Phenothiazine, 2-(ethylthio)-10-(3-(4-methyl-1-piperazinyl)propyl)-

Theithylperazine

Thiethylperazine (BAN

Thiethylperazine (USAN/INN)

Thiethylperazine dimalate

Thiethylperazine Dimaleate

Thiethylperazine [USAN:INN:BAN]

thiethylperazine; thiethylperazinum; tietilperazina

Thiethylperazinum

Thiethylperazinum [INN-Latin]

Thiethylpipezazine

Thioethylperazine

Tietilperazina

Tietilperazina [DCIT]

Torecan

UNII-8ETK1WAF6R

USAN

USAN); Thiethylperazine Malate (FDA

USAN); Thiethylperazine Malate (USP

USAN); Thietylperazine Maleate (JAN)

USP

USP); Thietylperazine Malate (JAN); Thiethylperazine Maleate (FDA

USP); Thietylperazine Maleate (JAN)

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) 5.06 12.31 -39.31 1 3 1 13 400.637 6 ↓
Hi High (pH 8-9.5) 5.06 9.94 -6.61 0 3 0 11 399.629 6 ↓
Mid Mid (pH 6-8) 5.06 12.19 -43.9 1 3 1 13 400.637 6 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 4.87e-03 g/l DrugBank-approved
PUBCHEM_PATENT_ID EP0010876A1; EP0052917A2; EP0067770A2; EP0067770B1; EP0111608A1; EP0180364A2; EP0257786A2; EP0257786B1; EP0266730A1; EP0266730B1; EP0267617A1; EP0267617B1; EP0293066A2; EP0293066B1; EP0297725A2; EP0297725B1; EP0300623B1; EP0313992A1; EP0313992B1; EP032993 IBM Patent Data
Patent Database Links US2005080075; US2006063753; US2007265234; WO2007109523; WO2007112581 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PDR5-1-F Pleiotropic ABC Efflux Transporter Of Multiple Drugs (cluster #1 Of 1), Fungal Fungi 2300 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PDR5_YEAST P33302 Pleiotropic ABC Efflux Transporter Of Multiple Drugs, Yeast 2300 0.29 Binding ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.