KEGG   DRUG: Onatasertib
Entry
D11663                      Drug                                   
Name
Onatasertib (USAN)
Formula
C21H27N5O3
Exact mass
397.2114
Mol weight
397.47
Structure
Class
Antineoplastic
 DG01597  mTOR inhibitor
Efficacy
Antineoplastic, mTOR inhibitor
Target
MTOR [HSA:2475] [KO:K07203]
  Pathway
hsa04150  mTOR signaling pathway
hsa05200  Pathways in cancer
Interaction
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG01597  mTOR inhibitor
   D11663  Onatasertib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   Other
    MTOR
     D11663  Onatasertib (USAN)
Other DBs
CAS: 1228013-30-6
PubChem: 405226530
LinkDB
KCF data

ATOM        29
            1   C8y C    17.5000  -15.8900
            2   C8y C    17.5000  -17.2900
            3   N1x N    18.6900  -17.9900
            4   C1x C    19.9500  -17.2900
            5   C5x C    19.9500  -15.8900
            6   N1y N    18.6900  -15.1900
            7   N5x N    16.3100  -15.1900
            8   C8y C    15.0500  -15.8900
            9   C8x C    15.0500  -17.2900
            10  N5x N    16.3100  -17.9900
            11  C8y C    13.8600  -15.1900
            12  C8x C    13.8600  -13.7900
            13  N5x N    12.6000  -13.0900
            14  C8y C    11.4100  -13.7900
            15  C8x C    11.4100  -15.1900
            16  C8x C    12.6000  -15.8900
            17  C1d C    10.2200  -13.0900
            18  O1a O     8.9600  -12.3900
            19  O5x O    21.1400  -15.1900
            20  C1y C    18.6900  -13.7900
            21  C1x C    19.8800  -13.0900
            22  C1x C    19.8800  -11.6900
            23  C1y C    18.6900  -10.9900
            24  C1x C    17.5000  -11.6900
            25  C1x C    17.5000  -13.0900
            26  O2a O    18.6900   -9.5900
            27  C1a C    17.5000   -8.8900
            28  C1a C    10.9149  -11.8746
            29  C1a C     9.5251  -14.3054
BOND        32
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    2  10 2
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19   14  17 1
            20   17  18 1
            21    5  19 2
            22   20   6 1 #Up
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   20  25 1
            29   23  26 1 #Down
            30   26  27 1
            31   17  28 1
            32   17  29 1

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