KEGG   DRUG: Colforsin
Entry
D03584                      Drug                                   
Name
Colforsin (USAN/INN)
Formula
C22H34O7
Exact mass
410.2305
Mol weight
410.5012
Structure
Simcomp
Class
Cardiovascular agent
 DG01499  Adenylate cyclase activator
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
Remark
Same as: C09076
Chemical structure group: DG02877
Product (DG02877): D01697<JP>
Efficacy
Antiglaucoma
Target
ADCY [HSA:107 108 109 196883 111 112 113 114 115 55811] [KO:K08041 K08042 K08043 K08044 K08045 K08046 K08047 K08048 K08049 K11265]
  Pathway
hsa04020  Calcium signaling pathway
hsa04024  cAMP signaling pathway
hsa04270  Vascular smooth muscle contraction
hsa04725  Cholinergic synapse
hsa04727  GABAergic synapse
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Interaction
Brite
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01499  Adenylate cyclase activator
   DG02877  Colforsin
    D03584  Colforsin
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02877  Colforsin
    D03584  Colforsin
Target-based classification of drugs [BR:br08310]
 Enzymes
  Lyases (EC4)
   Phosphorus-oxygen lyases
    ADCY
     D03584  Colforsin (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D03584
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01499  Adenylate cyclase activator
   DG02877  Colforsin
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02877  Colforsin
Other DBs
CAS: 66575-29-9
PubChem: 17397698
ChEBI: 42471
PDB-CCD: FOK[PDBj]
LigandBox: D03584
NIKKAJI: J22.273I
LinkDB
KCF data

ATOM        29
            1   C1x C    20.4569  -14.2084
            2   C1x C    20.4569  -15.7398
            3   C1z C    21.6068  -16.4019
            4   C1y C    21.6068  -13.5461
            5   C1z C    22.7497  -14.2084
            6   C1y C    22.7440  -15.7398
            7   C1y C    23.8882  -16.4067
            8   C1y C    25.0378  -15.7497
            9   C1z C    23.8994  -13.5508
            10  C1z C    25.0378  -14.2207
            11  O2x O    26.1873  -13.5696
            12  C1z C    26.1983  -11.5217
            13  C1x C    25.0597  -10.8518
            14  C5x C    23.8404  -11.5030
            15  C2b C    27.3398  -10.8590
            16  C2a C    28.4837  -11.5147
            17  O1a O    23.8824  -17.7312
            18  O7a O    26.1835  -16.4141
            19  C1a C    25.0256  -12.8905
            20  C1a C    22.7378  -12.8840
            21  O1a O    21.5940  -12.2216
            22  O1a O    23.8855  -14.8703
            23  O5x O    22.6879  -10.8390
            24  C1a C    21.6113  -18.0761
            25  C1a C    20.4502  -17.0575
            26  C7a C    27.3319  -15.7545
            27  O6a O    27.3348  -14.4300
            28  C1a C    28.4538  -16.3849
            29  C1a C    26.1983   -9.9117
BOND        31
            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   11  12 1
            20   12  13 1
            21   13  14 1
            22   14   9 1
            23   18  26 1
            24   26  28 1
            25    2   3 1
            26   26  27 2
            27   12  15 1
            28    5   6 1
            29   15  16 2
            30    6   7 1
            31   12  29 1 #Up

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