UCSF

ZINC01481877

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 22 Yes

Popular Name: Metixene Metixene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1553-34-0 , 4969-02-2 , 7081-40-5

Other Names:

1-Methyl-3-(9H-thioxanthen-9-yl-methyl)piperidine

1-Methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine

1-Methyl-3-(thioxanthen-9-ylmethyl) piperidine

1-methyl-3-(thioxanthen-9-ylmethyl)- piperidine hydrochloride

1-Methyl-3-(thioxanthen-9-ylmethyl)-1-piperidine

1-Methyl-3-(thioxanthen-9-ylmethyl)-1-piperidine hydrochloride; 1-Pipecoline, 3-(thioxanthen-9-yl)methyl-, hydrochloride; 9-((N-Methyl-3-piperidyl)methyl)-thioxanthenhydrochlorid [German]; 9-(1'-Methylpiperidine-3'-methyl)thioxanthene hydrochloride; 9-(1-

1-Methyl-3-(thioxanthen-9-ylmethyl)piperidine hydrochloride monohydrate; C20H23NS.HCl.H2O; LS-176839; Methixene Hydrochloride; Methixene hydrochloride [USAN]; Methixene hydrochloride monohydrate; NSC 78194; Piperidine, 1-methyl-3-(9H-thioxanthen-9-ylmethy

1-Pipecoline, 3-(thioxanthen-9-yl)methyl-

115511-20-1

115511-21-2

1553-34-0

1553-34-0 (HYDROCHLORIDE)

1553-34-0; Metixene hydrochloride; Prestwick_804

3-((9H-Thioxanthen-9-yl)methyl)-1-methylpiperidine

3-((9H-Thioxanthen-9-yl)methyl)-1-methylpiperidine hydrochloride hydrate

4-27-00-01421 (Beilstein Handbook Reference)

4969-02-2

4969-02-2; D08209; Metixene (INN)

60 SJ 1977

60 SJ 1977 (*hydrochloride*)

7081-40-5 (hydrochloride monohydrate)

7081-40-5; D01871; Methixene hydrochloride (USAN); Methixene hydrochloride hydrete; Metixene hydrochloride (JAN); Trest (TN)

9-(1'-Methylpiperidine-3'-methyl)thioxanthene

AC1L1HKA

AC1Q7G3S

AR-1C4472

Atosil

BAN); Methixene HCl (FDA

BPBio1_000421

BRD-A33711280-311-02-0

BRN 0267181

BSPBio_000381

C20H23NS

CHEBI:51024

CID4167

Contalyl

D08209

Dalpan

DAP000346

DB00340

EINECS 225-610-6

I06-0457

INN); Metixene Hydrochloride (JAN)

L001125

LS-115790

Methixart

Methixen

Methixen [German]

Methixen [German];Methixene;Metisene [DCIT];Metixeno [INN-Spanish];Metixenum [INN-Latin]

Methixen; Metisene

Methixene

Methixene (*hydrochloride*)

Methixene Hydrochloride

Methixene Hydrochloride (FDA

Methyloxan

Metisene

Metisene [DCIT]

Metixene (*hydrochloride*)

Metixene (INN

Metixene (INN)

Metixene hydrochloride

Metixene [INN:BAN]

metixene; metixeno; metixenum

Metixeno

Metixeno [INN-Spanish]

Metixenum

Metixenum [INN-Latin]

MFCD00867717

MFCD01700364

NCIOpen2_008789

NSC78194

Piperidine, 1-methyl-3-(9H-thioxanthen-9-ylmethyl)-

Piperidine, 1-methyl-3-(thioxanthen-9-ylmethyl)-

Prestwick0_000491

Prestwick1_000491

Prestwick2_000491

Prestwick3_000491

Raunana

SJ-1977

SPBio_002302

Tremaril

Tremaril hydrochloride

Tremarit

Tremonil

Tremonil (*hydrochloride*)

Tremoquil

Trest

UNII-32VY6L26ZW

USAN); Metixene (BAN

USAN); Metixene HCl (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) 4.68 12.83 -37.64 1 1 1 4 310.486 2 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.02e-04 g/l DrugBank-approved
PUBCHEM_PATENT_ID EP0103743A2; EP0116201A1; EP0116201B1; EP0261672B1; EP0281776B1; EP0294103A1; EP0294103B1; EP0361894A2; EP0361894B1; EP0493513B1; EP0519594B1; EP0527659B1; EP0572188A1; EP0572188B1; EP0684374A2; EP0684374A3; EP0684374B1; EP0686257A1; EP0695095A2; EP070927 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CHLE-1-E Butyrylcholinesterase (cluster #1 Of 7), Eukaryotic Eukaryotes 1600 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CHLE_HORSE P81908 Cholinesterase, Horse 1600 0.37 Binding ≤ 10μM

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