KEGG   DRUG: Dasantafil
Entry
D03657                      Drug                                   
Name
Dasantafil (USAN/INN)
Formula
C22H28BrN5O5
Exact mass
521.1274
Mol weight
522.3922
Structure
Class
Cardiovascular agent
 DG01509  Phosphodiesterase V inhibitor
Efficacy
Impotence therapy, Phosphodiesterase V inhibitor
Comment
Treatment of erectile dysfunction
Target
PDE5 [HSA:8654] [KO:K13762]
  Pathway
hsa04022  cGMP-PKG signaling pathway
Interaction
Brite
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01509  Phosphodiesterase V inhibitor
   D03657  Dasantafil
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Phosphodiesterases
    PDE5
     D03657  Dasantafil (USAN/INN)
Other DBs
CAS: 569351-91-3
PubChem: 17397754
LigandBox: D03657
LinkDB
KCF data

ATOM        33
            1   N4y N    24.1134  -15.4334
            2   C8y C    24.1134  -16.8357
            3   N4y N    25.3278  -17.5368
            4   C8y C    26.5423  -16.8357
            5   C8y C    26.5423  -15.4334
            6   C8y C    25.3278  -14.7323
            7   N5x N    27.8759  -17.2690
            8   C8y C    28.7002  -16.1346
            9   N4y N    27.8759  -15.0001
            10  O5x O    25.3278  -13.3302
            11  C1b C    22.8990  -14.7323
            12  C1a C    21.7016  -15.4238
            13  O5x O    22.8990  -17.5368
            14  C1b C    25.3278  -18.9389
            15  C1b C    26.5253  -19.6304
            16  O1a O    27.7145  -18.9439
            17  N1b N    30.0731  -16.1346
            18  C1b C    27.8759  -13.6001
            19  C8y C    29.0849  -12.9020
            20  C8x C    30.2617  -13.5813
            21  C8x C    31.4741  -12.8812
            22  C8y C    31.4739  -11.4812
            23  C8y C    30.2971  -10.8019
            24  C8x C    29.0848  -11.5020
            25  X   Br   30.2968   -9.3801
            26  O2a O    32.7062  -10.7694
            27  C1a C    33.9111  -11.4648
            28  C1y C    30.7650  -17.3320
            29  C1y C    32.1650  -17.3315
            30  O1a O    32.8646  -16.1188
            31  C1x C    30.3328  -18.6636
            32  C1x C    31.4657  -19.4861
            33  C1x C    32.5981  -18.6628
BOND        36
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 1
            11    6  10 2
            12    1  11 1
            13   11  12 1
            14    2  13 2
            15    3  14 1
            16   14  15 1
            17   15  16 1
            18    8  17 1
            19    9  18 1
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   19  24 1
            27   23  25 1
            28   22  26 1
            29   26  27 1
            30   28  17 1 #Up
            31   28  29 1
            32   29  30 1 #Down
            33   28  31 1
            34   31  32 1
            35   32  33 1
            36   29  33 1

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