General Information of the Compound
Compound ID
CP0034627
Compound Name
AZA
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Synonyms
4-Diamox
A 6011
Acetadiazol
Acetamidothiadiazolesulfonamide
Acetamox
Acetazolam
Acetazolamid
Acetazolamida
Acetazolamida [INN-Spanish]
Acetazolamide
Acetazolamide (AAZ)
Acetazolamide (JP15/USP/INN)
Acetazolamide Apotex Brand
Acetazolamide Chiesi Brand
Acetazolamide Dioptic Brand
Acetazolamide Grin Brand
Acetazolamide ICN Brand
Acetazolamide Jumer Brand
Acetazolamide Llorens Brand
Acetazolamide Medphano Brand
Acetazolamide Novopharm Brand
Acetazolamide Orion Brand
Acetazolamide Sodium, (Sterile)
Acetazolamide Wassermann Brand
Acetazolamide [INN:BAN:JAN]
Acetazolamide, Monosodium Salt
Acetazolamidum
Acetazolamidum [INN-Latin]
Acetazolamine
Acetazoleamide
Acetozalamide
Ak Zol
Ak-Zol
AkZol
Apo Acetazolamide
Apo-Acetazolamide
ApoAcetazolamide
Apotex Brand of Acetazolamide
Atenezol
Carbonic Anhydrase Inhibitor No. 6063
Carbonic anhydrase inhibitor 6063
Chiesi Brand of Acetazolamide
Ciba Vision Brand of Acetazolamide
Cidamex
Dazamide
Defiltran
Dehydratin
Diacarb
Diakarb
Diamox
Diamox (TN)
DiamoxSequels
Didoc
Diluran
Dioptic Brand of Acetazolamide
Diuramid
Diuramide
Diureticum-holzinger
Diuriwas
Diutazol
Donmox
Duiramid
Edemox
Eumicton
Fonurit
Glauconox
Glaumox
Glaupax
Glupax
Grin Brand of Acetazolamide
Huma Zolamide
Huma-Zolamide
HumaZolamide
ICN Brand of Acetazolamide
Jumer Brand of Acetazolamide
Llorens Brand of Acetazolamide
Medphano Brand of Acetazolamide
Monosodium Salt Acetazolamide
Natrionex
Nephramid
Nephramide
Novopharm Brand of Acetazolamide
Orion Brand of Acetazolamide
Phonurit
SK-acetazolamide
Storz Brand of Acetazolamide Preparation
Storzolamide
Vetamox
Wassermann Brand of Acetazolamide
Wyeth Brand of Acetazolamide Preparation
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Structure
Formula
C4H6N4O3S2
Molecular Weight
222.251
Canonical SMILES
CC(=O)Nc1nnc(s1)S(N)(=O)=O
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InChI
InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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InChIKey
BZKPWHYZMXOIDC-UHFFFAOYSA-N
CAS
59-66-5
5661-25-6
8017-69-4
Physicochemical Property
logP
-0.8561
Rotatable Bonds
2
Heavy Atom Count
13
Polar Areas
115.04
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
13

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 1986
SID: 57304369
ChEMBL ID
CHEMBL20
DrugBank ID
DB00819
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00209, Carbonic anhydrase
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 16 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 16 nM
Protein ID: PT00841, Carbonic anhydrase 12
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 1550 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 5.7 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 5.7 nM
2 IC50 = 60 nM
3 IC50 = 61 nM
4 IC50 = 88 nM
5 Kd = 25 nM
6 Kd = 130 nM
7 Kd = 133 nM
8 Kd = 330 nM
9 Ki = 2.5 nM
10 Ki = 3 nM
11 Ki = 5 nM
12 Ki = 5.6 nM
13 Ki = 5.7 nM
14 Ki = 5.8 nM
15 Ki = 6 nM
16 Ki = 12 nM
17 Ki = 25 nM
18 Ki = 250 nM
19 Km = 12000000 nM
Protein ID: PT00836, Carbonic anhydrase 2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 1190 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3.4 nM
2 IC50 = 6 nM
3 IC50 = 6.7 nM
4 IC50 = 8.9 nM
5 IC50 = 9.9 nM
6 IC50 = 10 nM
7 IC50 = 12 nM
8 IC50 = 12.5 nM
9 IC50 = 13 nM
10 IC50 = 13.7 nM
11 IC50 = 15 nM
12 IC50 = 16 nM
13 IC50 = 16.2 nM
14 IC50 = 18.5 nM
15 IC50 = 22.17 nM
16 IC50 = 23 nM
17 IC50 = 25 nM
18 IC50 = 28 nM
19 IC50 = 29 nM
20 IC50 = 34.3 nM
21 IC50 = 36 nM
22 IC50 = 36.85 nM
23 IC50 = 37.5 nM
24 IC50 = 45.1 nM
25 IC50 = 47.6 nM
26 IC50 = 48.1 nM
27 IC50 = 48.3 nM
28 IC50 = 48.9 nM
29 IC50 = 53.1 nM
30 IC50 = 56.5 nM
31 IC50 = 60.4 nM
32 IC50 = 63 nM
33 IC50 = 68 nM
34 IC50 = 68.6 nM
35 IC50 = 69.7 nM
36 IC50 = 77.8 nM
37 IC50 = 89.9 nM
38 IC50 = 92.5 nM
39 IC50 = 98.3 nM
40 IC50 = 115 nM
41 IC50 = 115.05 nM
42 IC50 = 123.5 nM
43 IC50 = 152 nM
44 IC50 = 220 nM
45 IC50 = 283 nM
46 IC50 = 285 nM
47 IC50 = 309 nM
48 IC50 = 351 nM
49 IC50 = 362 nM
50 IC50 = 441 nM
51 IC50 = 3900 nM
52 IC50 = 4100 nM
53 IC50 = 8200 nM
54 IC50 = 8300 nM
55 Kd = 6.8 nM
56 Kd = 10 nM
57 Kd = 17 nM
58 Kd = 18 nM
59 Kd = 38 nM
60 Kd = 46 nM
61 Ki = 0.3434 nM
62 Ki = 6 nM
63 Ki = 7 nM
64 Ki = 7.943 nM
65 Ki = 9 nM
66 Ki = 10 nM
67 Ki = 12 nM
68 Ki = 12.1 nM
69 Ki = 12.3 nM
70 Ki = 12.5 nM
71 Ki = 12.8 nM
72 Ki = 13.52 nM
73 Ki = 18 nM
74 Ki = 22 nM
75 Ki = 25 nM
76 Ki = 32.15 nM
77 Ki = 32.91 nM
78 Ki = 40 nM
79 Ki = 47.6 nM
80 Ki = 61.1 nM
81 Ki = 93.5 nM
82 Ki = 103 nM
83 Ki = 103.6 nM
84 Ki = 104 nM
85 Ki = 125 nM
86 Ki = 132.6 nM
87 Ki = 159 nM
88 Ki = 250 nM
89 Ki = 370 nM
90 Ki = 2000 nM
91 Ki = 3300 nM
92 Ki = 36200 nM
93 Ki = 74000 nM
94 Ki > 12.1 nM
95 Km = 9300000 nM
Protein ID: PT01011, Carbonic anhydrase 9
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 25 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2.58 nM
2 IC50 = 7.7 nM
3 IC50 = 7.72 nM
4 IC50 = 21 nM
5 IC50 = 25 nM
6 IC50 = 28 nM
7 IC50 = 30 nM
8 IC50 = 31 nM
9 IC50 = 32 nM
10 IC50 = 36.2 nM
11 IC50 = 36.7 nM
12 IC50 = 42.1 nM
13 IC50 = 44.3 nM
14 IC50 = 48.7 nM
15 IC50 = 52.5 nM
16 IC50 = 53.4 nM
17 IC50 = 54 nM
18 IC50 = 56.7 nM
19 IC50 = 65.2 nM
20 IC50 = 70.9 nM
21 IC50 = 73 nM
22 IC50 = 82 nM
23 IC50 = 87.2 nM
24 IC50 = 94 nM
25 IC50 = 123.6 nM
26 IC50 = 132 nM
27 IC50 = 174.8 nM
28 IC50 = 176.8 nM
29 IC50 = 183.3 nM
30 IC50 = 200.6 nM
31 IC50 = 208.1 nM
32 IC50 = 218.8 nM
33 IC50 = 236.1 nM
34 IC50 = 243.1 nM
35 IC50 = 286.5 nM
36 IC50 = 304.6 nM
37 IC50 = 318.6 nM
38 IC50 = 410.3 nM
39 IC50 = 622 nM
40 IC50 = 670.3 nM
41 IC50 = 680 nM
42 IC50 = 694.5 nM
43 IC50 = 700 nM
44 IC50 = 721 nM
45 IC50 = 735 nM
46 IC50 = 746.9 nM
47 IC50 = 763 nM
48 IC50 = 775 nM
49 IC50 = 903 nM
50 IC50 = 973 nM
51 IC50 = 999.8 nM
52 IC50 = 1024 nM
53 IC50 = 1165 nM
54 IC50 = 1294 nM
55 IC50 = 1297 nM
56 IC50 = 1513 nM
57 IC50 = 1520 nM
58 IC50 = 1524 nM
59 IC50 = 1764 nM
60 IC50 = 1997 nM
61 IC50 = 2134 nM
62 Kd < 5 nM
63 Kd = 6.7 nM
64 Kd = 14 nM
65 Kd = 20 nM
66 Kd = 22 nM
67 Kd = 50 nM
68 Ki = 0.06 nM
69 Ki = 5.6 nM
70 Ki = 16 nM
71 Ki = 20 nM
72 Ki = 25 nM
73 Ki = 25.1 nM
74 Ki = 25.2 nM
75 Ki = 25.3 nM
76 Ki = 25.4 nM
77 Ki = 25.7 nM
78 Ki = 25.8 nM
79 Ki = 26 nM
80 Ki = 30 nM
81 Ki = 5700 nM
Protein ID: PT06109, Geminin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 145.8 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01062, Prostaglandin G/H synthase 2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000014 RAW 264.7
 Cell Line Info 
Mus musculus (Mouse)  1
1
Activity = 15.271091 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Acetazolamide )
Drug Name Acetazolamide
Indication
Glaucoma/ocular hypertension
Approved
Target(s)
Carbonic anhydrase I (CA-I)
 Target Info 
Modulator