KEGG   DRUG: DarolutamideHelp
Entry
D11045                      Drug                                   

Name
Darolutamide (JAN/USAN/INN);
Nebeqa (TN)
Product
Formula
C19H19ClN6O2
Exact mass
398.1258
Mol weight
398.8462
Structure
Mol fileKCF fileDB search
Remark
Product: D11045<US>
Efficacy
Antineoplastic, Androgen receptor antagonist
  Disease
Prostate cancer [DS:H00024]
Target
NR3C4 (AR) [HSA:367] [KO:K08557]
  Pathway
hsa05200  Pathways in cancer
Metabolism
Enzyme: CYP3A4 [HSA:1576], UGT1A9 [HSA:54600], UGT1A1 [HSA:54658]
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C4 (AR)
     D11045  Darolutamide (JAN/USAN/INN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11045
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11045
BRITE hierarchy
Other DBs
CAS: 1297538-32-9
PubChem: 363669758
LinkDB All DBs
KCF data Show

ATOM        28
            1   C8x C    21.1400  -14.7000
            2   C8y C    21.1400  -13.3000
            3   C8y C    19.9500  -12.6000
            4   C8x C    18.6900  -13.3000
            5   C8y C    18.6900  -14.7000
            6   C8x C    19.9500  -15.4000
            7   X   Cl   19.9500  -11.2000
            8   C3b C    22.3300  -12.6000
            9   N3a N    23.5900  -11.9000
            10  C8y C    17.5000  -15.4000
            11  N4y N    15.2600  -15.4000
            12  C8x C    15.6800  -16.7300
            13  C8x C    17.0800  -16.7300
            14  N5x N    16.3800  -14.5600
            15  C1b C    14.0700  -14.7000
            16  C1c C    12.8800  -15.4000
            17  N1b N    11.6900  -14.7000
            18  C5a C    10.5000  -15.4000
            19  C8y C     9.3100  -14.7000
            20  C8x C     8.8900  -13.3700
            21  C8y C     7.4900  -13.3700
            22  N4x N     7.0700  -14.7000
            23  N5x N     8.1900  -15.5400
            24  C1c C     6.3000  -12.6700
            25  C1a C     5.1100  -13.3700
            26  O1a O     6.3000  -11.2700
            27  O5a O    10.5000  -16.8000
            28  C1a C    12.8800  -16.8000
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     3   7 1
            8     2   8 1
            9     8   9 3
            10    5  10 1
            11   11  12 1
            12   12  13 2
            13   13  10 1
            14   11  14 1
            15   14  10 2
            16   11  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 1
            25   23  19 2
            26   21  24 1
            27   24  25 1
            28   24  26 1
            29   18  27 2
            30   16  28 1 #Down

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