KEGG   DRUG: Mozavaptane hydrochlorideHelp
Entry
D01855                      Drug                                   

Name
Mozavaptane hydrochloride (JAN)
Formula
C27H29N3O2. HCl
Exact mass
463.2027
Mol weight
463.999
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01506  Arginine vasopressin receptor 2 (AVPR2) antagonist
Metabolizing enzyme substrate
 DG02918  CYP2C8 substrate
 DG02913  CYP3A4 substrate
Remark
Therapeutic category: 2139
Product: D01855<JP>
Efficacy
Diuretic, Vasopressin V2 receptor antagonist
Target
AVPR2 [HSA:554] [KO:K04228]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04962  Vasopressin-regulated water reabsorption
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP2C8 [HSA:1558]
Interaction
Drug interaction
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   213  Diuretics
    2139  Others
     D01855  Mozavaptane hydrochloride (JAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Vasopressin
    AVPR2
     D01855  Mozavaptane hydrochloride (JAN) <JP>
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D01855
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D01855
BRITE hierarchy
Other DBs
CAS: 138470-70-9
PubChem: 7848917
ChEBI: 31869
LigandBox: D01855
NIKKAJI: J2.234.453F
LinkDB All DBs
KCF data Show

ATOM        33
            1   C1y C    11.8934  -19.1194
            2   C8y C    11.0513  -18.0098
            3   C8y C    11.3865  -16.6530
            4   N1y N    12.6475  -16.0749
            5   C1x C    13.2992  -19.1446
            6   C1x C    13.9011  -16.6972
            7   C1x C    14.1876  -18.0659
            8   C8x C    10.3794  -15.6846
            9   C8x C     9.0374  -16.0727
            10  C8x C     8.7022  -17.4295
            11  C8x C     9.7093  -18.3976
            12  N1c N    11.2589  -20.3691
            13  C1a C     9.8573  -20.3691
            14  C1a C    11.9597  -21.5829
            15  C5a C    12.6475  -14.6749
            16  C8y C    13.8655  -13.9715
            17  O5a O    11.4627  -13.9912
            18  C8x C    15.0861  -14.6758
            19  C8x C    16.2984  -13.9755
            20  C8y C    16.2980  -12.5755
            21  C8x C    15.0775  -11.8712
            22  C8x C    13.8652  -12.5715
            23  N1b N    17.5085  -11.8763
            24  C5a C    18.7248  -12.5782
            25  C8y C    19.9015  -11.8984
            26  O5a O    18.6557  -13.9995
            27  C8y C    21.0985  -12.5893
            28  C8x C    22.3109  -11.8892
            29  C8x C    22.3107  -10.4892
            30  C8x C    21.1137   -9.7983
            31  C8x C    19.9013  -10.4984
            32  C1a C    21.0989  -13.9997
            33  X   Cl   19.9500  -17.6400
BOND        35
            1     3   4 1
            2     1   5 1
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     3   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    2  11 2
            13    1  12 1
            14   12  13 1
            15   12  14 1
            16    4  15 1
            17   15  16 1
            18   15  17 2
            19   16  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   16  22 1
            25   20  23 1
            26   23  24 1
            27   24  25 1
            28   24  26 2
            29   25  27 2
            30   27  28 1
            31   28  29 2
            32   29  30 1
            33   30  31 2
            34   25  31 1
            35   27  32 1

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