UCSF

ZINC19702309

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 16 No

Popular Name: Tizanidine hydrochloride Tizanidine hydrochloride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 51322-75-9 , 51322-75-9; 64461-82-1 , 64461-82-1 , [64461-82-1]

Other Names:

2,1,3-Benzothiadiazol-4-amine, 5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-

2,1,3-benzothiadiazol-4-amine, 5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-, monohydrochloride

2,1,3-Benzothiadiazol-4-amine, 5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-, monohydrochloride; 2,1,3-benzothiadiazol-4-amine,5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-, monohydrochloride; 5-Chloro-4-(2-imidazolin-2-ylamino)-2,1,3-benzothiadiazole hydrochlo

2,1,3-Benzothiadiazol-4-amine, 5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-; 2,1,3-Benzothiadiazole, 5-chloro-4-(2-imidazolin-2-ylamino)-; 2,1,3-Benzothiadiazole-4-amine, 5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-; 5-Chloro-4-(2-imidazolin-2-ylamino)-2,1,3-

2,1,3-Benzothiadiazole, 5-chloro-4-(2-imidazolin-2-ylamino)-

2,1,3-Benzothiadiazole-4-amine, 5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-

5-chloro-4-(2-imidazolin-2-yl-amino)-2,1,3-benzothiadiazole

5-Chloro-4-(2-imidazolin-2-ylamino)-2,1,3-benzothiadiazole

5-chloro-4-(2-imidazolin-4-on-2-ylamino)-2,1,3-benzothiadiazole;Tizanidina [INN-Spanish];Tizanidinum [INN-Latin]

5-Chloro-4-(2-imidazolin-4-on-2-ylamino)-2,1,3-benzothiazdiazole

5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine

5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine hydrochloride

5-Chloro-N-(4,5-dihydro-1H-imidazol-2-yl)benzo[c][1,2,5]thiadiazol-4-amine

51322-75-9

51322-75-9; C07452; Tizanidine

51322-75-9; D08611; Sirdalud (TN); Tizanidine (INN)

64461-82-1 (mono-hydrochloride)

64461-82-1; CPD000499584; SAM002548961; Tizanidine hydrochloride

64461-82-1; D00776; Tizanidine hydrochloride (JP16/USAN); Zanaflex (TN)

AC1L1KGE

AN-021

AN-021; DS-103-282

AN-021A

BIDD:GT0580

BRN 0618691

C07452

C9H8ClN5S

CHEBI:240117

CHEBI:9608

CHEMBL1079

CID5487

CPD000499584; SAM002548961; Tizanidine hydrochloride

D08611

DAP000234

DB00697

DS-103-282

DS-103282

DS-103282 ch

HMS2089B03

I01-2529

INN); Tizanidine HCl (FDA

INN); Tizanidine Hydrochloride (FDA

JAN

L001084

LS-190312

LS-40470

MFCD00798231

MFCD00865192

MolPort-002-508-203

NCGC00160529-01

NCGC00160529-02

NCGC00160529-03

NCGC00160529-04

NCGC00160529-05

NVD-422

Sirdalud

Sirdalud (TN)

STK711168

STOCK6S-26959

Ternelin

Tizanidina

Tizanidina [INN-Spanish]

tizanidina; tizanidine; tizanidinum

Tizanidine

Tizanidine (BAN

Tizanidine (INN)

Tizanidine HCl

Tizanidine Hydrochloride

Tizanidine [INN:BAN]

Tizanidinum

Tizanidinum [INN-Latin]

UNII-6AI06C00GW

USAN)

Zanaflex

Zanaflex, Sirdalud

ZINC19702309

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) 1.33 3.28 -8.88 2 5 0 62 253.718 1 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.33e-01 g/l DrugBank-approved
MP 280 TCI
MP 291 - 293 Enamine Building Blocks
MP 291...293 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Target Adrenergic Receptor Selleck Chemicals
Indications antispasmodic KeyOrganics Bioactives
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Enamine; NCC_SUPPLIER_STRUCTURE_ID : 241392030; 1 hydrogen chloride NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Enamine; SUPPLIER_STRUCTURE_ID: 241392030; SALT: 1 hydrogen chloride NIH Clinical Collection via PubChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NISCH-1-E Nischarin (cluster #1 Of 4), Eukaryotic Eukaryotes 28 0.66 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NISCH_HUMAN Q9Y2I1 Nischarin, Human 28.3 0.66 Binding ≤ 1μM
NISCH_HUMAN Q9Y2I1 Nischarin, Human 28.3 0.66 Binding ≤ 10μM

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