In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 27th, 2005 | 13 | Yes |
Popular Name: Acetazolamide Acetazolamide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1189904-01-5 , 1424-27-7 , 59-66-5 , 827026-60-8 , [1424-27-7] , [59-66-5]
1424-27-7 (mono-hydrochloride salt)
1424-27-7; Acetazolamide sodium (JAN); D01196; Diamox (TN)
5-Acetamido-1,3,4-thiadiazole-2-sulfonamide
59-66-5; Acetazolamide (JP16/USP/INN); D00218; Diamox (TN)
59-66-5; Acetazolamide; C06805
59-66-5; Acetazolamide; CPD000058394; SAM002554883
59-66-5; Acetazolamide; Prestwick_4
acetamide, N-[5-(aminosulfonyl)-1,3,4-thiadiazol-2-yl]-
Acetamidothiadiazolesulfonamide
acetazolamida; acetazolamide; acetazolamidum
Acetazolamide Sodium, (Sterile)
Acetazolamide Wassermann Brand
Acetazolamide, Monosodium Salt
Acetazolamide; CPD000058394; SAM002554883
AcetazolamideRelatedCompound(5-acetamido-1,3,4-thiadiazole-2-sulfonicacid)
Carbonic Anhydrase Inhibitor 6063
Carbonic Anhydrase Inhibitor No. 6063
CHEBI:41007; CHEBI:22167; CHEBI:22168; CHEBI:2388
Ciba Vision Brand of Acetazolamide
Defiltran; Diacarb; Diluran; Glaupax
Diamox; N-[5-(aminosulfonyl)-1,3,4-thiadiazol-2-yl]acetamide
Dioptic Brand of Acetazolamide
Llorens Brand of Acetazolamide
Medphano Brand of Acetazolamide
N-(5-Sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
N-(5-Sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide monosodium salt; Sodium acetazolamide
N-[5-(aminosulfonyl)-1,3,4-thiadiazol-2-yl]acetamide
N-[5-(Aminosulfonyl)-1,3,4-thiadiozol-2-yl]-Acetamide
Novopharm Brand of Acetazolamide
Storz Brand of Acetazolamide Preparation
USP); Acetazolamide Sodium (FDA
USP); Acetazolamide Sodium (JAN
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) | -1.15 | -4.36 | -19.16 | 3 | 7 | 0 | 115 | 222.251 | 2 | ↓ |
Mid Mid (pH 6-8) | -1.15 | -3.88 | -51.46 | 2 | 7 | -1 | 113 | 221.243 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
ALOGPS_SOLUBILITY | 2.79e+00 g/l | DrugBank-approved |
MP | 248 - 252 | Enamine Building Blocks |
MP | 249 - 251 | Enamine Building Blocks |
MP | 249...251 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 99% | APIChem |
Melting_Point | ca 255? dec. | Alfa-Aesar |
Melting_Point | ca 255° dec. | Alfa-Aesar |
therap | carbonic anhydrase inhibitor, diuretic, antiglaucoma | MicroSource Spectrum |
Therapy | Carbonic anhydrase inhibitor; diuretic | SMDC Iconix |
Patent Database Links | EP0795327; EP1611877; EP1611879; EP1671624; EP1717226; EP1844774; EP1920780; GB2264710; US2004029771; US2004054213; US2005176765; US2005227969; US2005239863; US2005256117; US2006020000; US2006069256; US2006148805; US2006154897; US2006167081; US2006258726 | ChEBI |
Patent Database Links | EP1754712 | ChEBI |
PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : A-4439; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER | NIH Clinical Collection via PubChem |
PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: A-4439; SUPPLIER_COMMENTS: WHITE POWDER | NIH Clinical Collection via PubChem |
UniProt Database Links | SCN4A_HUMAN; ZAM_SYNY3 | ChEBI |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
CAH-1-A | Carbonic Anhydrase (cluster #1 Of 2), Archaea | Archaea | 60 | 0.78 | Binding ≤ 10μM |
CYNT-2-B | Carbonic Anhydrase (cluster #2 Of 3), Bacterial | Bacteria | 9 | 0.87 | Binding ≤ 10μM |
P96878-1-B | PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) (cluster #1 Of 2), Bacterial | Bacteria | 12 | 0.85 | Binding ≤ 10μM |
Y1284-1-B | Uncharacterized Protein Rv1284/MT1322 (cluster #1 Of 2), Bacterial | Bacteria | 481 | 0.68 | Binding ≤ 10μM |
B5SU02-5-E | Alpha Carbonic Anhydrase (cluster #5 Of 6), Eukaryotic | Eukaryotes | 16 | 0.84 | Binding ≤ 10μM |
C0IX24-4-E | Carbonic Anhydrase (cluster #4 Of 5), Eukaryotic | Eukaryotes | 74 | 0.77 | Binding ≤ 10μM |
CAH1-10-E | Carbonic Anhydrase I (cluster #10 Of 12), Eukaryotic | Eukaryotes | 900 | 0.65 | Binding ≤ 10μM |
CAH10-2-E | Carbonic Anhydrase-related Protein 10 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 440 | 0.68 | Binding ≤ 10μM |
CAH11-2-E | Carbonic Anhydrase-related Protein 2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 440 | 0.68 | Binding ≤ 10μM |
CAH12-8-E | Carbonic Anhydrase XII (cluster #8 Of 9), Eukaryotic | Eukaryotes | 6 | 0.89 | Binding ≤ 10μM |
CAH13-2-E | Carbonic Anhydrase XIII (cluster #2 Of 7), Eukaryotic | Eukaryotes | 490 | 0.68 | Binding ≤ 10μM |
CAH14-7-E | Carbonic Anhydrase XIV (cluster #7 Of 8), Eukaryotic | Eukaryotes | 440 | 0.68 | Binding ≤ 10μM |
CAH15-6-E | Carbonic Anhydrase 15 (cluster #6 Of 6), Eukaryotic | Eukaryotes | 72 | 0.77 | Binding ≤ 10μM |
CAH2-11-E | Carbonic Anhydrase II (cluster #11 Of 15), Eukaryotic | Eukaryotes | 7 | 0.88 | Binding ≤ 10μM |
CAH3-5-E | Carbonic Anhydrase III (cluster #5 Of 6), Eukaryotic | Eukaryotes | 7 | 0.88 | Binding ≤ 10μM |
CAH4-12-E | Carbonic Anhydrase IV (cluster #12 Of 16), Eukaryotic | Eukaryotes | 72 | 0.77 | Binding ≤ 10μM |
CAH5A-2-E | Carbonic Anhydrase VA (cluster #2 Of 10), Eukaryotic | Eukaryotes | 7 | 0.88 | Binding ≤ 10μM |
CAH5B-2-E | Carbonic Anhydrase VB (cluster #2 Of 9), Eukaryotic | Eukaryotes | 54 | 0.78 | Binding ≤ 10μM |
CAH6-1-E | Carbonic Anhydrase VI (cluster #1 Of 8), Eukaryotic | Eukaryotes | 7 | 0.88 | Binding ≤ 10μM |
CAH7-7-E | Carbonic Anhydrase VII (cluster #7 Of 8), Eukaryotic | Eukaryotes | 16 | 0.84 | Binding ≤ 10μM |
CAH8-2-E | Carbonic Anhydrase-related Protein 8 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 440 | 0.68 | Binding ≤ 10μM |
CAH9-10-E | Carbonic Anhydrase IX (cluster #10 Of 11), Eukaryotic | Eukaryotes | 1000 | 0.65 | Binding ≤ 10μM |
Q2PCB5-1-E | Carbonic Anhydrase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5720 | 0.56 | Binding ≤ 10μM |
CAH1-3-E | Carbonic Anhydrase I (cluster #3 Of 3), Eukaryotic | Eukaryotes | 250 | 0.71 | Functional ≤ 10μM |
CAH2-1-E | Carbonic Anhydrase II (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3 | 0.92 | Functional ≤ 10μM |
CAH4-1-E | Carbonic Anhydrase IV (cluster #1 Of 2), Eukaryotic | Eukaryotes | 70 | 0.77 | Functional ≤ 10μM |
CAH9-1-E | Carbonic Anhydrase IX (cluster #1 Of 2), Eukaryotic | Eukaryotes | 25 | 0.82 | Functional ≤ 10μM |
CAN-3-F | Carbonic Anhydrase (cluster #3 Of 3), Fungal | Fungi | 83 | 0.76 | Binding ≤ 10μM |
Q3I4V7-2-F | Carbonic Anhydrase 2 (cluster #2 Of 4), Fungal | Fungi | 10 | 0.86 | Binding ≤ 10μM |
Q5AJ71-3-F | Carbonic Anhydrase (cluster #3 Of 4), Fungal | Fungi | 40 | 0.80 | Binding ≤ 10μM |
Q6FTL6-1-F | Carbonic Anhydrase (cluster #1 Of 1), Fungal | Fungi | 11 | 0.86 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
B5SU02_9CNID | B5SU02 | Alpha Carbonic Anhydrase, 9cnid | 16 | 0.84 | Binding ≤ 1μM |
C0IX24_9CNID | C0IX24 | Carbonic Anhydrase, 9cnid | 74 | 0.77 | Binding ≤ 1μM |
CAN_YEAST | P53615 | Carbonic Anhydrase, Yeast | 82.6 | 0.76 | Binding ≤ 1μM |
CAH_METTE | P40881 | Carbonic Anhydrase, Mette | 60 | 0.78 | Binding ≤ 1μM |
Q6FTL6_CANGA | Q6FTL6 | Carbonic Anhydrase, Canga | 11 | 0.86 | Binding ≤ 1μM |
Q5AJ71_CANAL | Q5AJ71 | Carbonic Anhydrase, Canal | 130 | 0.74 | Binding ≤ 1μM |
CYNT_MYCTU | O53573 | Carbonic Anhydrase, Myctu | 9 | 0.87 | Binding ≤ 1μM |
CYNT_HELPY | O24855 | Carbonic Anhydrase 1, Helpy | 20 | 0.83 | Binding ≤ 1μM |
CAH15_MOUSE | Q99N23 | Carbonic Anhydrase 15, Mouse | 72 | 0.77 | Binding ≤ 1μM |
Q3I4V7_CRYNV | Q3I4V7 | Carbonic Anhydrase 2, Crynv | 10 | 0.86 | Binding ≤ 1μM |
CAH1_HUMAN | P00915 | Carbonic Anhydrase I, Human | 0.8 | 0.98 | Binding ≤ 1μM |
CAH2_BOVIN | P00921 | Carbonic Anhydrase II, Bovin | 16 | 0.84 | Binding ≤ 1μM |
CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 0.8 | 0.98 | Binding ≤ 1μM |
CAH2_RAT | P27139 | Carbonic Anhydrase II, Rat | 12 | 0.85 | Binding ≤ 1μM |
CAH3_RAT | P14141 | Carbonic Anhydrase III, Rat | 12 | 0.85 | Binding ≤ 1μM |
CAH3_HUMAN | P07451 | Carbonic Anhydrase III, Human | 0.8 | 0.98 | Binding ≤ 1μM |
CAH4_RAT | P48284 | Carbonic Anhydrase IV, Rat | 12 | 0.85 | Binding ≤ 1μM |
CAH4_BOVIN | Q95323 | Carbonic Anhydrase IV, Bovin | 120 | 0.75 | Binding ≤ 1μM |
CAH4_HUMAN | P22748 | Carbonic Anhydrase IV, Human | 0.8 | 0.98 | Binding ≤ 1μM |
CAH9_HUMAN | Q16790 | Carbonic Anhydrase IX, Human | 0.8 | 0.98 | Binding ≤ 1μM |
CAH5A_RAT | P43165 | Carbonic Anhydrase VA, Rat | 12 | 0.85 | Binding ≤ 1μM |
CAH5A_HUMAN | P35218 | Carbonic Anhydrase VA, Human | 0.8 | 0.98 | Binding ≤ 1μM |
CAH5A_MOUSE | P23589 | Carbonic Anhydrase VA, Mouse | 58 | 0.78 | Binding ≤ 1μM |
CAH5B_HUMAN | Q9Y2D0 | Carbonic Anhydrase VB, Human | 0.8 | 0.98 | Binding ≤ 1μM |
CAH5B_MOUSE | Q9QZA0 | Carbonic Anhydrase VB, Mouse | 58 | 0.78 | Binding ≤ 1μM |
CAH6_BOVIN | P18915 | Carbonic Anhydrase VI, Bovin | 16 | 0.84 | Binding ≤ 1μM |
CAH6_HUMAN | P23280 | Carbonic Anhydrase VI, Human | 0.8 | 0.98 | Binding ≤ 1μM |
CAH7_MOUSE | Q9ERQ8 | Carbonic Anhydrase VII, Mouse | 16 | 0.84 | Binding ≤ 1μM |
CAH7_HUMAN | P43166 | Carbonic Anhydrase VII, Human | 0.8 | 0.98 | Binding ≤ 1μM |
CAH12_HUMAN | O43570 | Carbonic Anhydrase XII, Human | 0.8 | 0.98 | Binding ≤ 1μM |
CAH13_MOUSE | Q9D6N1 | Carbonic Anhydrase XIII, Mouse | 17 | 0.84 | Binding ≤ 1μM |
CAH13_HUMAN | Q8N1Q1 | Carbonic Anhydrase XIII, Human | 0.8 | 0.98 | Binding ≤ 1μM |
CAH14_HUMAN | Q9ULX7 | Carbonic Anhydrase XIV, Human | 0.8 | 0.98 | Binding ≤ 1μM |
CAH10_HUMAN | Q9NS85 | Carbonic Anhydrase-related Protein 10, Human | 0.8 | 0.98 | Binding ≤ 1μM |
CAH11_HUMAN | O75493 | Carbonic Anhydrase-related Protein 2, Human | 0.8 | 0.98 | Binding ≤ 1μM |
CAH8_HUMAN | P35219 | Carbonic Anhydrase-related Protein 8, Human | 0.8 | 0.98 | Binding ≤ 1μM |
P96878_MYCTU | P96878 | PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE), Myctu | 100 | 0.75 | Binding ≤ 1μM |
Y1284_MYCTU | P64797 | Uncharacterized Protein Rv1284/MT1322, Myctu | 250 | 0.71 | Binding ≤ 1μM |
B5SU02_9CNID | B5SU02 | Alpha Carbonic Anhydrase, 9cnid | 16 | 0.84 | Binding ≤ 10μM |
Q6FTL6_CANGA | Q6FTL6 | Carbonic Anhydrase, Canga | 11 | 0.86 | Binding ≤ 10μM |
CAH_METTE | P40881 | Carbonic Anhydrase, Mette | 1430 | 0.63 | Binding ≤ 10μM |
Q5AJ71_CANAL | Q5AJ71 | Carbonic Anhydrase, Canal | 130 | 0.74 | Binding ≤ 10μM |
Q2PCB5_DICLA | Q2PCB5 | Carbonic Anhydrase, Dicla | 5720 | 0.56 | Binding ≤ 10μM |
CYNT_MYCTU | O53573 | Carbonic Anhydrase, Myctu | 9 | 0.87 | Binding ≤ 10μM |
C0IX24_9CNID | C0IX24 | Carbonic Anhydrase, 9cnid | 74 | 0.77 | Binding ≤ 10μM |
CAN_YEAST | P53615 | Carbonic Anhydrase, Yeast | 82.6 | 0.76 | Binding ≤ 10μM |
CYNT_HELPY | O24855 | Carbonic Anhydrase 1, Helpy | 20 | 0.83 | Binding ≤ 10μM |
CAH15_MOUSE | Q99N23 | Carbonic Anhydrase 15, Mouse | 72 | 0.77 | Binding ≤ 10μM |
Q3I4V7_CRYNV | Q3I4V7 | Carbonic Anhydrase 2, Crynv | 10 | 0.86 | Binding ≤ 10μM |
CAH1_HUMAN | P00915 | Carbonic Anhydrase I, Human | 0.8 | 0.98 | Binding ≤ 10μM |
CAH2_BOVIN | P00921 | Carbonic Anhydrase II, Bovin | 16 | 0.84 | Binding ≤ 10μM |
CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 0.8 | 0.98 | Binding ≤ 10μM |
CAH2_RAT | P27139 | Carbonic Anhydrase II, Rat | 12 | 0.85 | Binding ≤ 10μM |
CAH3_RAT | P14141 | Carbonic Anhydrase III, Rat | 12 | 0.85 | Binding ≤ 10μM |
CAH3_HUMAN | P07451 | Carbonic Anhydrase III, Human | 0.8 | 0.98 | Binding ≤ 10μM |
CAH4_HUMAN | P22748 | Carbonic Anhydrase IV, Human | 0.8 | 0.98 | Binding ≤ 10μM |
CAH4_RAT | P48284 | Carbonic Anhydrase IV, Rat | 12 | 0.85 | Binding ≤ 10μM |
CAH4_BOVIN | Q95323 | Carbonic Anhydrase IV, Bovin | 120 | 0.75 | Binding ≤ 10μM |
CAH9_HUMAN | Q16790 | Carbonic Anhydrase IX, Human | 0.8 | 0.98 | Binding ≤ 10μM |
CAH5A_HUMAN | P35218 | Carbonic Anhydrase VA, Human | 0.8 | 0.98 | Binding ≤ 10μM |
CAH5A_MOUSE | P23589 | Carbonic Anhydrase VA, Mouse | 58 | 0.78 | Binding ≤ 10μM |
CAH5A_RAT | P43165 | Carbonic Anhydrase VA, Rat | 12 | 0.85 | Binding ≤ 10μM |
CAH5B_HUMAN | Q9Y2D0 | Carbonic Anhydrase VB, Human | 0.8 | 0.98 | Binding ≤ 10μM |
CAH5B_MOUSE | Q9QZA0 | Carbonic Anhydrase VB, Mouse | 58 | 0.78 | Binding ≤ 10μM |
CAH6_HUMAN | P23280 | Carbonic Anhydrase VI, Human | 0.8 | 0.98 | Binding ≤ 10μM |
CAH6_BOVIN | P18915 | Carbonic Anhydrase VI, Bovin | 16 | 0.84 | Binding ≤ 10μM |
CAH7_MOUSE | Q9ERQ8 | Carbonic Anhydrase VII, Mouse | 16 | 0.84 | Binding ≤ 10μM |
CAH7_HUMAN | P43166 | Carbonic Anhydrase VII, Human | 0.8 | 0.98 | Binding ≤ 10μM |
CAH12_HUMAN | O43570 | Carbonic Anhydrase XII, Human | 0.8 | 0.98 | Binding ≤ 10μM |
CAH13_MOUSE | Q9D6N1 | Carbonic Anhydrase XIII, Mouse | 1050 | 0.64 | Binding ≤ 10μM |
CAH13_HUMAN | Q8N1Q1 | Carbonic Anhydrase XIII, Human | 0.8 | 0.98 | Binding ≤ 10μM |
CAH14_HUMAN | Q9ULX7 | Carbonic Anhydrase XIV, Human | 0.8 | 0.98 | Binding ≤ 10μM |
CAH10_HUMAN | Q9NS85 | Carbonic Anhydrase-related Protein 10, Human | 0.8 | 0.98 | Binding ≤ 10μM |
CAH11_HUMAN | O75493 | Carbonic Anhydrase-related Protein 2, Human | 0.8 | 0.98 | Binding ≤ 10μM |
CAH8_HUMAN | P35219 | Carbonic Anhydrase-related Protein 8, Human | 0.8 | 0.98 | Binding ≤ 10μM |
P96878_MYCTU | P96878 | PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE), Myctu | 100 | 0.75 | Binding ≤ 10μM |
Y1284_MYCTU | P64797 | Uncharacterized Protein Rv1284/MT1322, Myctu | 250 | 0.71 | Binding ≤ 10μM |
CAH1_HUMAN | P00915 | Carbonic Anhydrase I, Human | 250 | 0.71 | Functional ≤ 10μM |
CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 12 | 0.85 | Functional ≤ 10μM |
CAH4_BOVIN | Q95323 | Carbonic Anhydrase IV, Bovin | 70 | 0.77 | Functional ≤ 10μM |
CAH9_HUMAN | Q16790 | Carbonic Anhydrase IX, Human | 25 | 0.82 | Functional ≤ 10μM |
Description | Species |
---|---|
Erythrocytes take up carbon dioxide and release oxygen | |
Erythrocytes take up oxygen and release carbon dioxide | |
Regulation of gene expression by Hypoxia-inducible Factor | |
Reversible hydration of carbon dioxide |