KEGG   DRUG: Mozavaptane hydrochloride
Entry
D01855                      Drug                                   

Name
Mozavaptane hydrochloride (JAN)
Formula
C27H29N3O2. HCl
Exact mass
463.2027
Mol weight
463.999
Structure
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
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
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D01855
Other DBs
CAS: 138470-70-9
PubChem: 7848917
ChEBI: 31869
LigandBox: D01855
NIKKAJI: J2.234.453F
LinkDB
KCF data

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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