KEGG   DRUG: IpatasertibHelp
Entry
D10641                      Drug                                   

Name
Ipatasertib (USAN/INN)
Formula
C24H32ClN5O2
Exact mass
457.2245
Mol weight
457.9962
Structure
Mol fileKCF fileDB search
Remark
Chemical structure group: DG02851
Efficacy
Antineoplastic, AKT serine/threonine kinase inhibitor
Target
AKT (PKB) [HSA:207 208 10000] [KO:K04456]
  Pathway
hsa04151  PI3K-Akt signaling pathway
hsa05200  Pathways in cancer
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   AKT family
    AKT (PKB)
     D10641  Ipatasertib (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 1001264-89-6
PubChem: 254741602
ChEMBL: CHEMBL2177390
PDB-CCD: 0RF[PDBj]
LinkDB All DBs
KCF data Show

ATOM        32
            1   C8y C    15.8228  -16.3376
            2   C8x C    14.6324  -17.0292
            3   C8x C    14.6362  -18.4059
            4   C8y C    15.8304  -19.0910
            5   C8x C    17.0207  -18.3995
            6   C8x C    17.0171  -17.0227
            7   X   Cl   15.7997  -20.3971
            8   C1c C    15.8330  -14.9431
            9   C1b C    14.3632  -14.1161
            10  N1b N    13.1710  -14.8044
            11  C1c C    11.9787  -14.1161
            12  C1a C    10.7864  -14.8044
            13  C1a C    11.9787  -12.7393
            14  C5a C    17.0254  -14.2549
            15  N1y N    18.2175  -14.9431
            16  O5a O    17.0254  -12.8781
            17  C1x C    18.2175  -16.3236
            18  C1x C    19.4098  -17.0119
            19  N1y N    20.6021  -16.3235
            20  C1x C    20.6021  -14.9431
            21  C1x C    19.4097  -14.2549
            22  C8y C    21.7943  -17.0119
            23  N5x N    21.7943  -18.3886
            24  C8x C    22.9867  -19.0770
            25  N5x N    24.1788  -18.3886
            26  C8y C    24.1788  -17.0119
            27  C8y C    22.9867  -16.3235
            28  C1y C    25.2020  -16.0907
            29  C1x C    24.6420  -14.8330
            30  C1y C    23.2729  -14.9769
            31  O1a O    26.3933  -16.5120
            32  C1a C    22.2241  -13.8691
BOND        35
            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     4   7 1
            8     1   8 1
            9     9  10 1
            10    8   9 1 #Up
            11   10  11 1
            12   11  12 1
            13   11  13 1
            14    8  14 1
            15   14  15 1
            16   14  16 2
            17   15  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   15  21 1
            23   19  22 1
            24   22  23 2
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   22  27 1
            30   26  28 1
            31   28  29 1
            32   29  30 1
            33   27  30 1
            34   28  31 1 #Up
            35   30  32 1 #Down

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