KEGG   DRUG: DorzolamideHelp
Entry
D07871                      Drug                                   

Name
Dorzolamide (INN);
Trusopt (TN)
Formula
C10H16N2O4S3
Exact mass
324.0272
Mol weight
324.44
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01534  Carbonic anhydrase inhibitor
Enzyme substrate
 DG01642  CYP2C9 substrate
 DG01639  CYP2C19 substrate
Remark
Same as: C06969
ATC code: S01EC03
Chemical structure group: DG01135
Product (DG01135): D00653<JP/US>
Efficacy
Antiglaucoma, Carbonic anhydrase inhibitor
Comment
Diuretic action
Target
  Pathway
hsa04964  Proximal tubule bicarbonate reclamation
Metabolism
Enzyme: CYP2C9 [HSA:1559], CYP2C19 [HSA:1557], CYP3A4 [HSA:1576]
Interaction
Drug interaction
Structure map
map07054  Antiglaucoma agents
map07055  Sulfonamide derivatives - overview
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01E ANTIGLAUCOMA PREPARATIONS AND MIOTICS
    S01EC Carbonic anhydrase inhibitors
     S01EC03 Dorzolamide
      D07871  Dorzolamide (INN)
USP drug classification [BR:br08302]
 Ophthalmic Agents
  Ophthalmic Antiglaucoma Agents
   Dorzolamide
    D07871  Dorzolamide (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Lyases (EC4)
   Aldehyde-lyases
    CA
     D07871  Dorzolamide (INN)
BRITE hierarchy
Other DBs
CAS: 120279-96-1
PubChem: 96024567
ChEBI: 4702
ChEMBL: CHEMBL218490
DrugBank: DB00869
PDB-CCD: ETS[PDBj]
LigandBox: D07871
NIKKAJI: J488.895B
LinkDB All DBs
KCF data Show

ATOM        19
            1   C8y C    19.3200  -14.9100
            2   C8y C    19.3200  -16.3100
            3   S2x S    20.5100  -14.2800
            4   S2x S    17.9900  -14.4900
            5   C1y C    20.5100  -17.0100
            6   C8x C    17.9900  -16.7300
            7   C1y C    21.7000  -14.9100
            8   O3c O    19.2500  -13.3700
            9   O3c O    21.6300  -13.4400
            10  C8y C    17.2200  -15.6100
            11  C1x C    21.7000  -16.3100
            12  N1b N    20.5100  -18.4100
            13  C1a C    22.8900  -14.2800
            14  S4a S    15.8200  -15.6100
            15  C1b C    21.7000  -19.0400
            16  N1a N    15.8200  -17.2200
            17  O3c O    15.8200  -14.2800
            18  O3c O    14.3500  -15.6100
            19  C1a C    21.7314  -20.4396
BOND        20
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     3   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 1 #Down
            12    7  13 1 #Up
            13   10  14 1
            14   12  15 1
            15   14  16 1
            16   14  17 2
            17   14  18 2
            18    6  10 2
            19    7  11 1
            20   15  19 1

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