KEGG   DRUG: Darolutamide
Entry
D11045                      Drug                                   
Name
Darolutamide (JAN/USAN/INN);
Nebeqa (TN)
Product
NUBEQA (Bayer HealthCare Pharmaceuticals)
Formula
C19H19ClN6O2
Exact mass
398.1258
Mol weight
398.8462
Structure
Class
Antineoplastic
 DG01591  Androgen receptor antagonist
  DG01624  Flutamide-type antiandrogen
Remark
Therapeutic category: 4291
ATC code: L02BB06
Product: D11045<JP/US>
Efficacy
Antineoplastic, Androgen receptor antagonist
  Disease
Prostate cancer [DS:H00024]
Target
NR3C4 (AR) [HSA:367] [KO:K08557]
  Pathway
hsa05200  Pathways in cancer
hsa05207  Chemical carcinogenesis - receptor activation
hsa05215  Prostate cancer
  Network
nt06272  Prostate cancer
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L02 ENDOCRINE THERAPY
   L02B HORMONE ANTAGONISTS AND RELATED AGENTS
    L02BB Anti-androgens
     L02BB06 Darolutamide
      D11045  Darolutamide (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Antiandrogens
   Darolutamide
    D11045  Darolutamide (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D11045  Darolutamide (JAN/USAN/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01591  Androgen receptor antagonist
   DG01624  Flutamide-type antiandrogen
    D11045  Darolutamide
Drug classes [BR:br08332]
 Antineoplastic
  DG01591  Androgen receptor antagonist
   D11045  Darolutamide
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C4 (AR)
     D11045  Darolutamide (JAN/USAN/INN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11045
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D11045
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D11045
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11045
Other DBs
CAS: 1297538-32-9
PubChem: 363669758
LinkDB
KCF data

ATOM        28
            1   C8y C    25.3956  -16.6986
            2   C8y C    25.3956  -15.2950
            3   C8x C    24.2024  -14.5931
            4   C8x C    22.9391  -15.2950
            5   C8y C    22.9391  -16.6986
            6   C8x C    24.2024  -17.4005
            7   C3b C    26.5887  -14.5931
            8   N3a N    27.8520  -13.8913
            9   C8y C    21.7460  -17.4005
            10  N4y N    19.5001  -17.4005
            11  C8x C    19.9212  -18.7340
            12  C8x C    21.3249  -18.7340
            13  N5x N    20.6231  -16.5583
            14  C1b C    18.3070  -16.6986
            15  C1c C    17.1139  -17.4005
            16  N1b N    15.9207  -16.6986
            17  C5a C    14.7276  -17.4005
            18  C8y C    13.5345  -16.6986
            19  C8x C    13.1134  -15.3651
            20  C8y C    11.7097  -15.3651
            21  N4x N    11.2886  -16.6986
            22  N5x N    12.4115  -17.5408
            23  C1c C    10.5166  -14.6633
            24  C1a C     9.3234  -15.3651
            25  O1a O    10.5166  -13.2596
            26  O5a O    14.7276  -18.8042
            27  C1a C    17.1139  -18.8042
            28  X   Cl   26.6353  -17.4072
BOND        30
            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     2   7 1
            8     7   8 3
            9     5   9 1
            10   10  11 1
            11   11  12 2
            12   12   9 1
            13   10  13 1
            14   13   9 2
            15   10  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 1
            24   22  18 2
            25   20  23 1
            26   23  24 1
            27   23  25 1
            28   17  26 2
            29   15  27 1 #Down
            30    1  28 1

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