KEGG   DRUG: Daclatasvir dihydrochlorideHelp
Entry
D10105                      Drug                                   

Name
Daclatasvir dihydrochloride (USAN);
Daclatasvir hydrochloride (JAN);
Daklinza (TN)
Product
Formula
C40H50N8O6. 2HCl
Exact mass
810.3387
Mol weight
811.7969
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antiviral
 DG01999  NS5A inhibitor
Metabolizing enzyme substrate
 DG02913  CYP3A4 substrate
Metabolizing enzyme inhibitor
 DG02852  CYP3A inhibitor
 DG02887  UGT inhibitor
Transporter substrate
 DG01665  ABCB1 (P-GP) substrate
Remark
Therapeutic category: 6250
ATC code: J05AP07
Chemical structure group: DG01669
Product (DG01669): D10105<JP/US>
Product (mixture): D10882<JP>
Efficacy
Antiviral, NS5A inhibitor
  Disease
Chronic hepatitis C virus infection [DS:H00413]
Target
HCV NS5A [KO:K22275]
  Pathway
ko05160  Hepatitis C
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Transporter: ABCB1 [HSA:5243]
Interaction
CYP inhibition: CYP3A [HSA:1576 1577 1551]
Enzyme inhibition: UGT1A1 [HSA:54658]
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J05 ANTIVIRALS FOR SYSTEMIC USE
   J05A DIRECT ACTING ANTIVIRALS
    J05AP Antivirals for treatment of HCV infections
     J05AP07 Daclatasvir
      D10105  Daclatasvir dihydrochloride (USAN) <JP/US>
USP drug classification [BR:br08302]
 Antivirals
  Anti-hepatitis C (HCV) Agents, Direct Acting
   Daclatasvir
    D10105  Daclatasvir dihydrochloride (USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   625  Antivirals
    6250  Antivirals
     D10105  Daclatasvir dihydrochloride (USAN); Daclatasvir hydrochloride (JAN)
Antiinfectives [br08350.html]
 Antivirals
  D10105
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10105
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10105
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10105
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10105
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D10105
BRITE hierarchy
Other DBs
CAS: 1009119-65-6
PubChem: 135626823
ChEBI: 83800
ChEMBL: CHEMBL2303621
LigandBox: D10105
LinkDB All DBs
KCF data Show

ATOM        56
            1   C8x C    21.4200  -21.4900
            2   C8y C    21.4200  -22.8900
            3   C8x C    22.6100  -23.5900
            4   C8x C    23.8700  -22.8900
            5   C8y C    23.8700  -21.4900
            6   C8x C    22.6100  -20.7900
            7   C8y C    25.0600  -20.7900
            8   C8x C    26.3200  -21.4900
            9   C8x C    27.5800  -20.7900
            10  C8y C    27.5800  -19.3900
            11  C8x C    26.3900  -18.6900
            12  C8x C    25.0600  -19.3900
            13  C8y C    20.2300  -23.5900
            14  C8x C    18.9000  -23.1700
            15  N5x N    18.0600  -24.3600
            16  C8y C    18.9000  -25.4800
            17  N4x N    20.2300  -25.0600
            18  C8y C    28.7700  -18.6900
            19  C8x C    30.1000  -19.1100
            20  N5x N    30.9400  -17.9200
            21  C8y C    30.1000  -16.8000
            22  N4x N    28.7700  -17.2900
            23  C1y C    30.5200  -15.4700
            24  N1y N    31.8500  -15.0500
            25  C1x C    31.8500  -13.6500
            26  C1x C    30.5200  -13.2300
            27  C1x C    29.6800  -14.3500
            28  C5a C    33.0400  -15.7500
            29  O5a O    34.2300  -15.0500
            30  C1c C    33.0400  -17.1500
            31  N1b N    31.8500  -17.8500
            32  C1c C    34.2300  -17.8500
            33  C7a C    31.8500  -19.2500
            34  O7a O    30.6600  -19.9500
            35  O6a O    33.0400  -19.9500
            36  C1a C    30.6600  -21.3500
            37  C1a C    35.4200  -17.1500
            38  C1a C    34.2300  -19.2500
            39  C1y C    18.4800  -26.8100
            40  N1y N    17.1500  -27.2300
            41  C1x C    17.1500  -28.6300
            42  C1x C    18.4800  -29.0500
            43  C1x C    19.3200  -27.9300
            44  C5a C    15.9600  -26.5300
            45  O5a O    14.7700  -27.2300
            46  C1c C    15.9600  -25.1300
            47  C1c C    14.7700  -24.4300
            48  N1b N    17.2200  -24.4300
            49  C7a C    17.2200  -22.9600
            50  O7a O    18.4100  -22.3300
            51  O6a O    15.9600  -22.2600
            52  C1a C    18.4100  -20.9300
            53  C1a C    13.5800  -25.0600
            54  C1a C    14.7700  -22.9600
            55  X   Cl   27.9300  -25.9700
            56  X   Cl   27.9300  -28.1400
BOND        59
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13    7  12 1
            14    2  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   13  17 1
            20   10  18 1
            21   18  19 2
            22   19  20 1
            23   20  21 2
            24   21  22 1
            25   18  22 1
            26   23  21 1 #Down
            27   23  24 1
            28   24  25 1
            29   25  26 1
            30   26  27 1
            31   23  27 1
            32   24  28 1
            33   28  29 2
            34   28  30 1
            35   30  31 1
            36   30  32 1 #Down
            37   31  33 1
            38   33  34 1
            39   33  35 2
            40   34  36 1
            41   32  37 1
            42   32  38 1
            43   39  16 1 #Down
            44   39  40 1
            45   40  41 1
            46   41  42 1
            47   42  43 1
            48   39  43 1
            49   44  40 1
            50   44  45 2
            51   44  46 1
            52   46  47 1 #Down
            53   46  48 1
            54   48  49 1
            55   49  50 1
            56   49  51 2
            57   50  52 1
            58   47  53 1
            59   47  54 1

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