KEGG   DRUG: D10146Help
Entry
D10146                      Drug                                   

Name
Orteronel (JAN/USAN)
Formula
C18H17N3O2
Exact mass
307.1321
Mol weight
307.3465
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of prostate cancer [DS:H00024]
Target
CYP17 inhibitor [HSA:1586] [KO:K00512]
  Pathway
hsa00140  Steroid hormone biosynthesis  
 
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases
   CYP17
    Orteronel
     D10146  Orteronel (USAN)
BRITE hierarchy
Other DBs
CAS: 
566939-85-3
PubChem: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        23
            1   C8x C    20.5800  -25.7600
            2   C8y C    20.5800  -24.3600
            3   N4y N    19.2500  -23.9400
            4   C8x C    18.4100  -25.0600
            5   N5x N    19.2500  -26.1800
            6   C1z C    21.4200  -23.2400
            7   C1x C    20.5800  -22.1200
            8   C1x C    19.2500  -22.5400
            9   C8y C    25.0600  -22.5400
            10  C8y C    25.0600  -21.1400
            11  C8x C    23.8700  -20.4400
            12  C8x C    22.6100  -21.1400
            13  C8y C    22.6100  -22.5400
            14  C8x C    23.8700  -23.2400
            15  C8x C    26.2500  -23.2400
            16  C8x C    27.5100  -22.5400
            17  C8y C    27.5100  -21.1400
            18  C8x C    26.2500  -20.4400
            19  C5a C    28.7000  -20.4400
            20  N1b N    29.9600  -21.1400
            21  C1a C    31.1500  -20.3700
            22  O5a O    28.7000  -19.0400
            23  O1a O    22.3300  -24.2900
BOND        26
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     1   5 1
            6     2   6 1
            7     6   7 1
            8     7   8 1
            9     3   8 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15    9  14 1
            16    9  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   10  18 1
            21    6  13 1 #Down
            22   17  19 1
            23   19  20 1
            24   20  21 1
            25   19  22 2
            26    6  23 1 #Up

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