KEGG   DRUG: Colforsin daropate hydrochlorideHelp
Entry
D01697                      Drug                                   

Name
Colforsin daropate hydrochloride (JAN);
Nkh 477;
Adehl (TN)
Formula
C27H43NO8. HCl
Exact mass
545.2755
Mol weight
546.0932
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01499  Adenylate cyclase activator
Enzyme substrate
 DG01633  CYP3A 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
Drug 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)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Lyases (EC4)
   Phosphorus-oxygen lyases
    ADCY
     D01697  Colforsin daropate hydrochloride (JAN) <JP>
BRITE hierarchy
Other DBs
CAS: 138605-00-2
PubChem: 7848760
ChEBI: 31429
LigandBox: D01697
NIKKAJI: J797.365I
LinkDB All DBs
KCF data Show

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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