UCSF

ZINC00004321

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 14 Yes

Other Names:

1,2-Benzisoxazole-3-methanesulfonamide

1,2-Benzisoxazole-3-methanesulfonamide sodium-potassium salt

1,2-benzisoxazole-3-methanesulfonamide; 3-(Sulfamoylmethyl)-1,2-benzisoxazole; 3-sulfamoylmethyl-1,2-benzisoxazole; AD 810; AD-810; BRN 1077076; C8H8N2O3S; CI 912; CI-912; Exceglan; Excegram; HSDB 7293; LS-33637; PD 110843; ZONEGRAN; ZONISAMIDE; Zonisamid

1,2-Benzisoxazole-3-methanesulfonamide; 3-(Sulfamoylmethyl)-1,2-benzisoxazole; Zonisamide

1,2-benzoxazol-3-ylmethanesulfonamide

1-(1,2-benzisoxazol-3-yl)methanesulfonamide

1-(1,2-benzoxazol-3-yl)methanesulfonamide

1-(1,2-benzoxazol-3-yl)methanesulphonamide

3-(Sulfamoylmethyl)-1,2-benzisoxazole

3-sulfamoylmethyl-1,2-benzisoxazole

68291-97-4

68291-97-4; C07504; Zonisamide

68291-97-4; D00538; Excegran (TN); Zonisamide (JAN/USAN/INN)

AC-1413

AC1L1L0Q

AC1Q55GQ

AD 810

AD-810

AD-810; CI-912; PD-110843

AD-810N

AKOS001312269

Aleviatin

BAN

Benzo[d]isoxazol-3-yl-methanesulfonamide

BIDD:GT0708

BIDD:PXR0183

Bio-0532

BRD-K48300629-001-03-8

BRN 1077076

C022189

C07504

C8H8N2O3S

CHEBI:10127

CHEBI:139857

CHEMBL750

CI 912

CI-912

CID5734

CPD000596519

CPD000596519; SAM002548957; Zonisamide

D00538

DAP000500

DB00909

E-2090

Elan brand of zonisamide

Exceglan

Excegram

Excegran

Excegran (TN)

Exegran

Exogran

FDA

Fenisoxine

FT-0082702

HMS2089O07

HSDB 7293

I06-0495

INN

JAN

LS-33637

MFCD00865316

MFCD01744844

MLS001195632

MLS001306491

MolPort-002-507-855

NCGC00159319-02

NCGC00159319-03

OR-2950

PD 110843

PD-110843

S1445_Selleck

SAM002548957

SMR000596519

SPR_2

STK711131

Tremode

Trerief

UNII-459384H98V

USAN)

ZINC00004321

Zonegran

Zonegran, Zonisamide

Zonisamida

Zonisamida [Spanish]

Zonisamida [Spanish];Zonisamidum [Latin]

zonisamida; zonisamide; zonisamidum

Zonisamide (BAN

Zonisamide (FDA

Zonisamide (JAN/USAN/INN)

Zonisamide (sodium)

Zonisamide (ZNS)

zonisamide monosodium

Zonisamide sodium salt

Zonisamide [USAN:BAN:INN:JAN]

Zonisamidum

Zonisamidum [Latin]

ZOPICLONE

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) 0.72 -0.51 -18.88 2 5 0 86 212.23 2

Vendor Notes

Note Type Comments Provided By
mechanism . ZereneX Building Blocks
MP 162 - 164 Enamine Building Blocks
MP 163 - 165 Enamine Building Blocks
MP 163...165 Enamine Building Blocks
MP 164 - 166 Enamine Building Blocks
ALOGPS_SOLUBILITY 2.09e+00 g/l DrugBank-approved
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
biological_use Anticonvulsant IBScreen Bioactives IBScreen Bioactives
biological_use Antiepileptic agent IBScreen Bioactives
mechanism Binds to sodium channels, voltage sensitive calcium channels and to a lesser extent carbonic anhydrase, this blocks or suppresses neuronal depolarization and hypersynchronization IBScreen Bioactives
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Enamine; NCC_SUPPLIER_STRUCTURE_ID : 140614987 NIH Clinical Collection via PubChem
Target Others Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Enamine; SUPPLIER_STRUCTURE_ID: 140614987 NIH Clinical Collection via PubChem
Target Sodium Channel Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CYNT-2-B Carbonic Anhydrase (cluster #2 Of 3), Bacterial Bacteria 876 0.61 Binding ≤ 10μM
P96878-1-B PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) (cluster #1 Of 2), Bacterial Bacteria 210 0.67 Binding ≤ 10μM
AOFB-4-E Monoamine Oxidase B (cluster #4 Of 8), Eukaryotic Eukaryotes 3100 0.55 Binding ≤ 10μM
B5SU02-2-E Alpha Carbonic Anhydrase (cluster #2 Of 6), Eukaryotic Eukaryotes 259 0.66 Binding ≤ 10μM
C0IX24-1-E Carbonic Anhydrase (cluster #1 Of 5), Eukaryotic Eukaryotes 645 0.62 Binding ≤ 10μM
CAH1-12-E Carbonic Anhydrase I (cluster #12 Of 12), Eukaryotic Eukaryotes 56 0.73 Binding ≤ 10μM
CAH13-1-E Carbonic Anhydrase XIII (cluster #1 Of 7), Eukaryotic Eukaryotes 430 0.64 Binding ≤ 10μM
CAH14-4-E Carbonic Anhydrase XIV (cluster #4 Of 8), Eukaryotic Eukaryotes 5250 0.53 Binding ≤ 10μM
CAH15-4-E Carbonic Anhydrase 15 (cluster #4 Of 6), Eukaryotic Eukaryotes 634 0.62 Binding ≤ 10μM
CAH2-1-E Carbonic Anhydrase II (cluster #1 Of 15), Eukaryotic Eukaryotes 6800 0.52 Binding ≤ 10μM
CAH4-14-E Carbonic Anhydrase IV (cluster #14 Of 16), Eukaryotic Eukaryotes 8590 0.51 Binding ≤ 10μM
CAH5A-6-E Carbonic Anhydrase VA (cluster #6 Of 10), Eukaryotic Eukaryotes 21 0.77 Binding ≤ 10μM
CAH5B-9-E Carbonic Anhydrase VB (cluster #9 Of 9), Eukaryotic Eukaryotes 6033 0.52 Binding ≤ 10μM
CAH6-2-E Carbonic Anhydrase VI (cluster #2 Of 8), Eukaryotic Eukaryotes 89 0.71 Binding ≤ 10μM
CAH7-8-E Carbonic Anhydrase VII (cluster #8 Of 8), Eukaryotic Eukaryotes 117 0.69 Binding ≤ 10μM
CAH9-9-E Carbonic Anhydrase IX (cluster #9 Of 11), Eukaryotic Eukaryotes 5 0.83 Binding ≤ 10μM
CAN-1-F Carbonic Anhydrase (cluster #1 Of 3), Fungal Fungi 106 0.70 Binding ≤ 10μM
Q3I4V7-3-F Carbonic Anhydrase 2 (cluster #3 Of 4), Fungal Fungi 970 0.60 Binding ≤ 10μM
Q5AJ71-1-F Carbonic Anhydrase (cluster #1 Of 4), Fungal Fungi 942 0.60 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
B5SU02_9CNID B5SU02 Alpha Carbonic Anhydrase, 9cnid 259 0.66 Binding ≤ 1μM
CYNT_MYCTU O53573 Carbonic Anhydrase, Myctu 876 0.61 Binding ≤ 1μM
Q5AJ71_CANAL Q5AJ71 Carbonic Anhydrase, Canal 35 0.75 Binding ≤ 1μM
C0IX24_9CNID C0IX24 Carbonic Anhydrase, 9cnid 645 0.62 Binding ≤ 1μM
CAN_YEAST P53615 Carbonic Anhydrase, Yeast 106 0.70 Binding ≤ 1μM
CYNT_HELPY O24855 Carbonic Anhydrase 1, Helpy 218 0.67 Binding ≤ 1μM
CAH15_MOUSE Q99N23 Carbonic Anhydrase 15, Mouse 634 0.62 Binding ≤ 1μM
Q3I4V7_CRYNV Q3I4V7 Carbonic Anhydrase 2, Crynv 970 0.60 Binding ≤ 1μM
CAH1_HUMAN P00915 Carbonic Anhydrase I, Human 56 0.73 Binding ≤ 1μM
CAH2_HUMAN P00918 Carbonic Anhydrase II, Human 10.3 0.80 Binding ≤ 1μM
CAH9_HUMAN Q16790 Carbonic Anhydrase IX, Human 5 0.83 Binding ≤ 1μM
CAH5A_HUMAN P35218 Carbonic Anhydrase VA, Human 20 0.77 Binding ≤ 1μM
CAH5B_HUMAN Q9Y2D0 Carbonic Anhydrase VB, Human 20.6 0.77 Binding ≤ 1μM
CAH6_HUMAN P23280 Carbonic Anhydrase VI, Human 89 0.71 Binding ≤ 1μM
CAH7_HUMAN P43166 Carbonic Anhydrase VII, Human 117 0.69 Binding ≤ 1μM
CAH13_HUMAN Q8N1Q1 Carbonic Anhydrase XIII, Human 430 0.64 Binding ≤ 1μM
P96878_MYCTU P96878 PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE), Myctu 210 0.67 Binding ≤ 1μM
B5SU02_9CNID B5SU02 Alpha Carbonic Anhydrase, 9cnid 259 0.66 Binding ≤ 10μM
Q5AJ71_CANAL Q5AJ71 Carbonic Anhydrase, Canal 35 0.75 Binding ≤ 10μM
CYNT_MYCTU O53573 Carbonic Anhydrase, Myctu 876 0.61 Binding ≤ 10μM
CAN_YEAST P53615 Carbonic Anhydrase, Yeast 106 0.70 Binding ≤ 10μM
C0IX24_9CNID C0IX24 Carbonic Anhydrase, 9cnid 645 0.62 Binding ≤ 10μM
CYNT_HELPY O24855 Carbonic Anhydrase 1, Helpy 218 0.67 Binding ≤ 10μM
CAH15_MOUSE Q99N23 Carbonic Anhydrase 15, Mouse 634 0.62 Binding ≤ 10μM
Q3I4V7_CRYNV Q3I4V7 Carbonic Anhydrase 2, Crynv 970 0.60 Binding ≤ 10μM
CAH1_HUMAN P00915 Carbonic Anhydrase I, Human 56 0.73 Binding ≤ 10μM
CAH2_HUMAN P00918 Carbonic Anhydrase II, Human 10.3 0.80 Binding ≤ 10μM
CAH4_HUMAN P22748 Carbonic Anhydrase IV, Human 8590 0.51 Binding ≤ 10μM
CAH9_HUMAN Q16790 Carbonic Anhydrase IX, Human 5 0.83 Binding ≤ 10μM
CAH5A_HUMAN P35218 Carbonic Anhydrase VA, Human 20 0.77 Binding ≤ 10μM
CAH5B_HUMAN Q9Y2D0 Carbonic Anhydrase VB, Human 20.6 0.77 Binding ≤ 10μM
CAH6_HUMAN P23280 Carbonic Anhydrase VI, Human 89 0.71 Binding ≤ 10μM
CAH7_HUMAN P43166 Carbonic Anhydrase VII, Human 117 0.69 Binding ≤ 10μM
CAH13_HUMAN Q8N1Q1 Carbonic Anhydrase XIII, Human 430 0.64 Binding ≤ 10μM
CAH14_HUMAN Q9ULX7 Carbonic Anhydrase XIV, Human 5250 0.53 Binding ≤ 10μM
AOFB_RAT P19643 Monoamine Oxidase B, Rat 2900 0.55 Binding ≤ 10μM
AOFB_HUMAN P27338 Monoamine Oxidase B, Human 3100 0.55 Binding ≤ 10μM
P96878_MYCTU P96878 PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE), Myctu 210 0.67 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Erythrocytes take up carbon dioxide and release oxygen
Erythrocytes take up oxygen and release carbon dioxide
Monoamines are oxidized to aldehydes by MAOA and MAOB, producing NH3 and H2O2
Regulation of gene expression by Hypoxia-inducible Factor
Reversible hydration of carbon dioxide

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

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