KEGG   DRUG: D07748Help
Entry
D07748                      Drug                                   

Name
Conivaptan (INN)
Formula
C32H26N4O2
Exact mass
498.2056
Mol weight
498.5744
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Cardiac;
Vascular
Remark
ATC code: 
Drug group: 
Target
arginine vasopressin receptor 1A (AVPR1A) antagonist [HSA:552] [KO:K04226];
arginine vasopressin receptor 2 (AVPR2) antagonist [HSA:554] [KO:K04228]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction
hsa04962  Vasopressin-regulated water reabsorption  
 
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Interaction
CYP inhibition: CYP3A [HSA:1576 1577 1551]
Transporter inhibition: ABCB1 [HSA:5243]
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C03 DIURETICS
   C03X OTHER DIURETICS
    C03XA Vasopressin antagonists
     C03XA02 Conivaptan
      D07748  Conivaptan (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Vasopressin
    arginine vasopressin receptor 1A (AVPR1A)
     Conivaptan
      D07748  Conivaptan (INN)
    arginine vasopressin receptor 2 (AVPR2)
     Conivaptan
      D07748  Conivaptan (INN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP3A
   Conivaptan
    D07748  Conivaptan (INN)
 Inhbitors
  CYP3A
   Conivaptan
    D07748  Conivaptan (INN)
BRITE hierarchy
Other DBs
CAS: 
210101-16-9
PubChem: 
DrugBank: 
LigandBox: 
KCF data Show

ATOM        38
            1   C1x C    19.6700  -19.7400
            2   C8y C    18.7600  -18.5500
            3   C8y C    19.1100  -17.2200
            4   C8y C    20.4400  -16.5900
            5   C1x C    21.0700  -19.7400
            6   C8y C    21.6300  -17.2200
            7   N1y N    21.9100  -18.6200
            8   N4x N    17.9900  -16.4500
            9   C8y C    16.8700  -17.3600
            10  N5x N    17.4300  -18.5500
            11  C1a C    15.4700  -17.3600
            12  C5a C    23.1000  -19.3200
            13  C8y C    24.3600  -18.6200
            14  C8x C    22.8200  -16.5200
            15  C8x C    22.7500  -15.1200
            16  C8x C    21.5600  -14.4900
            17  C8x C    20.3700  -15.1900
            18  O5a O    23.1000  -20.7200
            19  C8x C    25.5500  -19.3200
            20  C8x C    26.8100  -18.6200
            21  C8y C    26.8100  -17.2200
            22  C8x C    25.5500  -16.5200
            23  C8x C    24.3600  -17.2200
            24  N1b N    28.0000  -16.5200
            25  C5a C    29.2600  -17.2200
            26  C8y C    30.4500  -16.5200
            27  O5a O    29.2600  -18.6200
            28  C8y C    31.6400  -17.2200
            29  C8x C    32.8300  -16.5200
            30  C8x C    32.8300  -15.1200
            31  C8x C    31.6400  -14.4200
            32  C8x C    30.4500  -15.1200
            33  C8y C    31.6400  -18.6200
            34  C8x C    30.3800  -19.3200
            35  C8x C    30.3800  -20.7200
            36  C8x C    31.5700  -21.4200
            37  C8x C    32.8300  -20.7200
            38  C8x C    32.8300  -19.3200
BOND        43
            1     3   4 1
            2     1   5 1
            3     4   6 1
            4     2   3 2
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     3   8 1
            9     8   9 1
            10    9  10 2
            11    2  10 1
            12    9  11 1
            13    7  12 1
            14   12  13 1
            15    6  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19    4  17 2
            20   12  18 2
            21   13  19 2
            22   19  20 1
            23   20  21 2
            24   21  22 1
            25   22  23 2
            26   13  23 1
            27   21  24 1
            28   24  25 1
            29   25  26 1
            30   25  27 2
            31   26  28 2
            32   28  29 1
            33   29  30 2
            34   30  31 1
            35   31  32 2
            36   26  32 1
            37   28  33 1
            38   33  34 2
            39   34  35 1
            40   35  36 2
            41   36  37 1
            42   37  38 2
            43   33  38 1

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