KEGG   DRUG: TadalafilHelp
Entry
D02008                      Drug                                   

Name
Tadalafil (JAN/USAN/INN);
Adcirca (TN);
Cialis (TN);
Zalutia (TN)
Product
  Generic
Formula
C22H19N3O4
Exact mass
389.1376
Mol weight
389.404
Structure
Mol fileKCF fileDB search
Class
Cardiovascular agent
 DG01509  Phosphodiesterase V inhibitor
Enzyme substrate
 DG01633  CYP3A substrate
Remark
Therapeutic category: 2190 2590
ATC code: G04BE08
Product: D02008<JP/US>
Efficacy
Antihypertensive, Impotence therapy, Phosphodiesterase V inhibitor
  Disease
Pulmonary arterial hypertension [DS:H01621]
Comment
Treatment of male erectile and female sexual dysfunction
Target
PDE5 [HSA:8654] [KO:K13762]
  Pathway
hsa00230  Purine metabolism
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G04 UROLOGICALS
   G04B UROLOGICALS
    G04BE Drugs used in erectile dysfunction
     G04BE08 Tadalafil
      D02008  Tadalafil (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Genitourinary Agents
  Benign Prostatic Hypertrophy Agents
   Tadalafil
    D02008  Tadalafil (JAN/USAN/INN)
 Respiratory Tract/Pulmonary Agents
  Pulmonary Antihypertensives
   Tadalafil
    D02008  Tadalafil (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   219  Miscellaneous
    2190  Miscellaneous
     D02008  Tadalafil (JAN/USAN/INN)
  25  Urogenital and anal organ agents
   259  Miscellaneous
    2590  Miscellaneous
     D02008  Tadalafil (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Phosphodiesterase
    PDE5
     D02008  Tadalafil (JAN/USAN/INN) <JP/US>
Drug classes of therapeutic agents [br08360.html]
 Endocrine and hormonal agents
  D02008
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D02008
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D02008
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D02008
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D02008
BRITE hierarchy
Other DBs
CAS: 171596-29-5
PubChem: 7849070
ChEBI: 71940
ChEMBL: CHEMBL779
DrugBank: DB00820
PDB-CCD: CIA[PDBj]
LigandBox: D02008
NIKKAJI: J1.662.659G
LinkDB All DBs
KCF data Show

ATOM        29
            1   N1y N    29.4582  -12.6733
            2   C1x C    30.1741  -13.7777
            3   C5x C    29.5963  -15.0632
            4   N1y N    28.2326  -15.0448
            5   C1y C    27.4708  -14.1585
            6   C5x C    28.0566  -12.6389
            7   C1y C    27.6549  -16.4236
            8   C8y C    26.2912  -16.4518
            9   C1x C    26.1152  -14.1159
            10  C8y C    25.5294  -15.3555
            11  O5x O    27.2788  -11.5908
            12  O5x O    30.4201  -16.2432
            13  C8y C    28.4706  -17.5343
            14  C8x C    29.8722  -17.4755
            15  C8x C    30.6960  -18.6089
            16  C8y C    30.0724  -19.9725
            17  C8y C    28.6250  -19.9694
            18  C8x C    27.8471  -18.8281
            19  O2x O    30.5829  -21.1851
            20  C1x C    29.5192  -22.1306
            21  O2x O    28.3012  -21.3988
            22  C1a C    30.0900  -11.4256
            23  C8y C    24.1928  -15.8284
            24  C8y C    24.2058  -17.2380
            25  N4x N    25.5595  -17.6699
            26  C8x C    22.9827  -15.1426
            27  C8x C    21.7866  -15.8747
            28  C8x C    21.8003  -17.2924
            29  C8x C    23.0561  -17.9701
BOND        34
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     5   9 1
            10   10   8 2
            11    9  10 1
            12    6  11 2
            13    3  12 2
            14    7  13 1 #Down
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   13  18 1
            21   16  19 1
            22   19  20 1
            23   20  21 1
            24   17  21 1
            25    1  22 1
            26   10  23 1
            27   23  24 1
            28   24  25 1
            29   25   8 1
            30   23  26 2
            31   26  27 1
            32   27  28 2
            33   28  29 1
            34   24  29 2

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