In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 26th, 2005 | 14 | Yes |
Popular Name: Zonisamide Zonisamide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 68291-97-4 , 68291-98-5 , [68291-97-4] , [68291-98-5]
1,2-Benzisoxazole-3-methanesulfonamide
1,2-Benzisoxazole-3-methanesulfonamide sodium-potassium salt
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; C07504; Zonisamide
68291-97-4; D00538; Excegran (TN); Zonisamide (JAN/USAN/INN)
Benzo[d]isoxazol-3-yl-methanesulfonamide
CPD000596519; SAM002548957; Zonisamide
Zonisamida [Spanish];Zonisamidum [Latin]
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 | ↓ |
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 |
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 |
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 |
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 |
No pre-computed analogs available. Try a structural similarity search.