KEGG   DRUG: Colforsin daropate hydrochloride
Entry
D01697                      Drug                                   
Name
Colforsin daropate hydrochloride (JAN);
Nkh 477;
Adehl (TN)
Formula
C27H43NO8. HCl
Exact mass
545.2755
Mol weight
546.0932
Structure
Simcomp
Class
Cardiovascular agent
 DG01703  Cardiotonic
 DG01499  Adenylate cyclase activator
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
Remark
Therapeutic category: 2119
Chemical structure group: DG02877
Product (DG02877): D01697<JP>
Efficacy
Cardiotonic, Adenylate cyclase activator
Comment
Forskolin [DR:D03584] water-soluble derivative
Target
  Pathway
hsa04020  Calcium signaling pathway
hsa04024  cAMP signaling pathway
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04270  Vascular smooth muscle contraction
hsa04371  Apelin signaling pathway
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Interaction
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   211  Cardiotonics
    2119  Others
     D01697  Colforsin daropate hydrochloride (JAN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01703  Cardiotonic
   D01697  Colforsin daropate hydrochloride
  DG01499  Adenylate cyclase activator
   DG02877  Colforsin
    D01697  Colforsin daropate hydrochloride
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02877  Colforsin
    D01697  Colforsin daropate hydrochloride
Target-based classification of drugs [BR:br08310]
 Enzymes
  Lyases (EC4)
   Phosphorus-oxygen lyases
    ADCY
     D01697  Colforsin daropate hydrochloride (JAN) <JP>
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D01697
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01499  Adenylate cyclase activator
   DG02877  Colforsin
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02877  Colforsin
Other DBs
CAS: 138605-00-2
PubChem: 7848760
ChEBI: 31429
LigandBox: D01697
NIKKAJI: J797.365I
LinkDB
KCF data

ATOM        37
            1   C1x C    18.3442  -13.2378
            2   C1x C    18.3442  -14.7146
            3   C1z C    19.5061  -15.3836
            4   C1y C    19.5061  -12.5685
            5   C1z C    20.6611  -13.2378
            6   C1y C    20.6553  -14.7146
            7   C1y C    21.8116  -15.3884
            8   C1y C    22.9733  -14.7245
            9   C1z C    21.8229  -12.5733
            10  C1z C    22.9733  -13.2504
            11  O2x O    24.1348  -12.5923
            12  C1z C    24.1460  -10.6643
            13  C1x C    22.9954   -9.9875
            14  C5x C    21.8332  -10.6455
            15  C2b C    25.2995   -9.9947
            16  C2a C    26.4553  -10.6573
            17  O7a O    21.8762  -17.9169
            18  O7a O    24.1310  -15.3960
            19  C1a C    22.9609  -11.9060
            20  C1a C    20.6491  -11.8994
            21  O1a O    19.4932  -11.2301
            22  O1a O    21.8089  -13.9068
            23  O5x O    20.6686   -9.9744
            24  C1a C    19.5108  -17.0754
            25  C1a C    18.3374  -16.0461
            26  C7a C    23.0313  -18.5744
            27  C1b C    24.1871  -17.9053
            28  C1b C    25.3429  -18.5675
            29  O6a O    23.0252  -19.9126
            30  C7a C    25.2914  -14.7294
            31  O6a O    25.2944  -13.3910
            32  C1a C    26.4252  -15.3665
            33  C1a C    25.3496  -11.6418
            34  N1c N    26.5586  -17.8609
            35  C1a C    27.7468  -18.5423
            36  C1a C    26.5548  -16.4502
            37  X   Cl   30.5215  -14.9848
BOND        38
            1     7   8 1
            2     7  17 1 #Up
            3     8  10 1
            4     8  18 1 #Up
            5     9   5 1
            6    10  19 1 #Up
            7     3   6 1
            8     5  20 1 #Up
            9     5   4 1
            10    4  21 1 #Down
            11    4   1 1
            12    9  22 1 #Down
            13   14  23 2
            14    1   2 1
            15    3  24 1
            16    9  10 1
            17    3  25 1
            18   10  11 1
            19   17  26 1
            20   11  12 1
            21   26  27 1
            22   12  13 1
            23   27  28 1
            24   13  14 1
            25   26  29 2
            26   14   9 1
            27   18  30 1
            28   30  32 1
            29    2   3 1
            30   30  31 2
            31   12  15 1
            32    5   6 1
            33   15  16 2
            34    6   7 1
            35   12  33 1 #Up
            36   28  34 1
            37   34  35 1
            38   34  36 1

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