UCSF

ZINC03831041

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 26 Yes

Popular Name: Mesoridazine besylate Mesoridazine besylate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 32672-69-8 , 5588-33-0

Other Names:

(+-)-10-(2-(1-Methyl-2-piperidyl)ethyl)-2-(methylsulfinyl)phenothiazine monobenzenesulfonate; 10-(2-(1-Methyl-2-piperidyl)ethyl)-2-(methylsulfinyl)phenothiazine monobenzenesulfonate; 10H-Phenothiazine, 10-(2-(1-methyl-2-piperidinyl)ethyl)-2-(methylsulfiny

(+-)-10-(2-(1-methyl-2-piperidyl)ethyl)-2-(methylsulfinyl)phenothiazine monobenzenesulfonate; 10-(2-(1-methyl-2-piperidyl)ethyl)-2-(methylsulfinyl)phenothiazine monobenzenesulfonate; NC 123; mesoridazine benzenesulfonate; mesoridazine monobenzenesulfonate

10-(2(1-Methyl-2-piperidyl)ethyl)-2-(methylsulfinyl)-phenothiazine

10-(2(1-Methyl-2-piperidyl)ethyl)-2-(methylsulfinyl)-phenothiazine; 10-(2-(1-Methyl-2-piperidinyl)ethyl)-2-(methylsulfinyl)-10H-phenothiazine; 10-(2-(1-Methyl-2-piperidyl)ethyl)-2-methylsulfinyl phenothiazine; 10H-Phenothiazine, 10-(2-(1-methyl-2-piperidi

10-(2(1-Methyl-2-piperidyl)ethyl)-2-(methylsulfinyl)phenothiazine

10-(2(1-Methyl-2-piperidyl)ethyl)-2-(methylsulfinyl)phenothiazine; 10-(2-(1-Methyl-2-piperidyl)ethyl)-2-methylsulfinyl phenothiazine; Mesoridazine; thioridazine thiomethyl sulfoxide; thioridazine-2-sulfoxide

10-(2-(1-Methyl-2-piperidinyl)ethyl)-2-(methylsulfinyl)-10H-phenothiazine

10-(2-(1-Methyl-2-piperidyl)ethyl)-2-methylsulfinyl phenothiazine

10-[2(1-Methyl-2-piperidyl)ethyl]-2-(methylsulfinyl)phenothiazine

10-[2-(1-Methyl-2-piperidyl)ethyl]-2-methylsulfinyl phenothiazine

10-[2-(1-methylpiperidin-2-yl)ethyl]-2-(methylsulfinyl)-10H-phenothiazine

10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine

10H-Phenothiazine, 10-(2-(1-methyl-2-piperidinyl)ethyl)-2-(methylsulfinyl)-

10H-Phenothiazine, 10-[2-(1-methyl-2-piperidinyl)ethyl]-2-(methylsulfinyl)-

32672-69-8; D00795; Mesoridazine besylate (USP); Serentil (TN)

32672-69-8; Mesoridazine besylate; Prestwick_853

5588-33-0

5588-33-0; C07143; Mesoridazine

5588-33-0; D02671; Lidanar (TN); Mesoridazine (USAN/INN)

AB00513854

AC1L1HD1

Biomol-NT_000013

BPBio1_000569

BPBio1_001167

BRD-A14395271-001-01-5

BRD-A14395271-074-03-8

BSPBio_000517

C07143

C21H26N2OS2

Calodal

CHEBI:248004

CHEBI:6780

CHEMBL1088

CID4078

CPD000466274; Mesoridazine

CPD000466274; Mesoridazine; SAM001247051

D008653

D02671

DAP000252

DB00933

HMS2090H22

HSDB 3357

INN

L000852

Lidanar

Lidanar (TN)

Lidanar; Lidanil; Serentil

Lidanil

LS-105603

Mesoridazina

Mesoridazina [INN-Spanish]

mesoridazina; mesoridazine; mesoridazinum

Mesoridazine

Mesoridazine (BAN

Mesoridazine (USAN/INN)

Mesoridazine [USAN:BAN:INN]

Mesoridazinum

Mesoridazinum [INN-Latin]

MFCD00866645

N/A

NC-123

NC-123; TPS-23

NCGC00163157-01

NCGC00163157-02

NCGC00163157-03

NCI60_001547

NSC 186066

NSC186066

Phenothiazine, 10-(2-(1-methyl-2-piperidyl)ethyl)-2-(methylsulfinyl)-

Phenothiazine, 10-[2-(1-methyl-2-piperidyl)ethyl]-2-(methylsulfinyl)-

Prestwick1_000529

Prestwick2_000529

Prestwick3_000529

Serentil

Serentil Concentrate

SPBio_002438

T-2-SO

THD-2-SO

Thioridazien Thiomethyl Sulfoxide

Thioridazien Thiomethyl Sulfoxide;Thioridazine Monosulfoxide Analog;Thioridazine Thiomethyl Sulfoxide;TPS-23;TPS23

Thioridazine Monosulfoxide Analog

Thioridazine Thiomethyl Sulfoxide

Thioridazine-2-sulfoxide

TPS 23

TPS-23

TPS23

UNII-5XE4NWM740

USAN); Mesoridazine Besylate (FDA

USP)

WLN: T C666 BN ISJ ESO&1 B2- BT6NTJ A

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) 4.09 11.14 -42.01 1 3 1 26 387.594 4 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 7.67e-02 g/l DrugBank-approved
Therapy antpsychotic SMDC Pharmakon
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Tocris Cookson Ltd.; NCC_SUPPLIER_STRUCTURE_ID : 100739; 1 benzenesulfonic acid NIH Clinical Collection via PubChem
Target Others Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Tocris Bioscience; SUPPLIER_STRUCTURE_ID: 100739; SALT: 1 benzenesulfonic acid NIH Clinical Collection via PubChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNH2-2-E HERG (cluster #2 Of 5), Eukaryotic Eukaryotes 6490 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCNH2_HUMAN Q12809 HERG, Human 316.227766 0.35 Binding ≤ 1μM
KCNH2_HUMAN Q12809 HERG, Human 316.227766 0.35 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Voltage gated Potassium channels

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