KEGG   DRUG: D01236Help
Entry
D01236                      Drug                                   

Name
Conivaptan hydrochloride (JAN/USAN);
Vaprisol (TN)
Product
Formula
C32H26N4O2. HCl
Exact mass
534.1823
Mol weight
535.0354
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Hyponatremia and congestive heart failure [vasopressin antagonist]
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
      D01236  Conivaptan hydrochloride (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Vasopressin
    arginine vasopressin receptor 1A (AVPR1A)
     Conivaptan
      D01236  Conivaptan hydrochloride (JAN/USAN)
    arginine vasopressin receptor 2 (AVPR2)
     Conivaptan
      D01236  Conivaptan hydrochloride (JAN/USAN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP3A
   Conivaptan
    D01236  Conivaptan hydrochloride (JAN/USAN)
 Inhbitors
  CYP3A
   Conivaptan
    D01236  Conivaptan hydrochloride (JAN/USAN)
BRITE hierarchy
Other DBs
CAS: 
168626-94-6
PubChem: 
DrugBank: 
LigandBox: 
KCF data Show

ATOM        39
            1   X   Cl    7.0000  -20.0900
            2   C1x C    10.4300  -19.1800
            3   C8y C     9.5200  -17.9900
            4   C8y C     9.8700  -16.6600
            5   C8y C    11.2000  -16.0300
            6   C1x C    11.8300  -19.1800
            7   C8y C    12.3900  -16.6600
            8   N1y N    12.6700  -18.0600
            9   N4x N     8.7500  -15.8900
            10  C8y C     7.6300  -16.8000
            11  N5x N     8.1900  -17.9900
            12  C1a C     6.2300  -16.8000
            13  C5a C    13.8824  -18.7600
            14  C8y C    15.0949  -18.0600
            15  C8x C    13.5759  -15.9160
            16  C8x C    13.5246  -14.5169
            17  C8x C    12.3346  -13.8869
            18  C8x C    11.1486  -14.6309
            19  O5a O    13.8824  -20.1598
            20  C8x C    16.3260  -18.7710
            21  C8x C    17.5385  -18.0712
            22  C8y C    17.5387  -16.6712
            23  C8x C    16.3076  -15.9602
            24  C8x C    15.0951  -16.6600
            25  N1b N    18.7795  -15.9549
            26  C5a C    19.9794  -16.6479
            27  C8y C    21.1646  -15.9637
            28  O5a O    19.9794  -18.0597
            29  C8y C    22.3568  -16.6524
            30  C8x C    23.5694  -15.9526
            31  C8x C    23.5696  -14.5526
            32  C8x C    22.3774  -13.8639
            33  C8x C    21.1648  -14.5637
            34  C8y C    22.3567  -18.0597
            35  C8x C    21.1242  -18.7714
            36  C8x C    21.1243  -20.1714
            37  C8x C    22.3368  -20.8713
            38  C8x C    23.5693  -20.1597
            39  C8x C    23.5692  -18.7597
BOND        43
            1     4   5 1
            2     2   6 1
            3     5   7 1
            4     3   4 2
            5     6   8 1
            6     2   3 1
            7     7   8 1
            8     4   9 1
            9     9  10 1
            10   10  11 2
            11    3  11 1
            12   10  12 1
            13    8  13 1
            14   13  14 1
            15    7  15 2
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19    5  18 2
            20   13  19 2
            21   14  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   14  24 1
            27   22  25 1
            28   25  26 1
            29   26  27 1
            30   26  28 2
            31   27  29 2
            32   29  30 1
            33   30  31 2
            34   31  32 1
            35   32  33 2
            36   27  33 1
            37   29  34 1
            38   34  35 2
            39   35  36 1
            40   36  37 2
            41   37  38 1
            42   38  39 2
            43   34  39 1

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