KEGG   DRUG: TalazoparibHelp
Entry
D10732                      Drug                                   

Name
Talazoparib (USAN/INN)
Formula
C19H14F2N6O
Exact mass
380.1197
Mol weight
380.3509
Structure
Mol fileKCF fileDB search
Remark
Chemical structure group: DG01865
Efficacy
Antineoplastic, PARP inhibitor
Comment
Treatment of solid tumors and hematological malignancies
Target
PARP1 [HSA:142] [KO:K10798]
PARP2 [HSA:10038] [KO:K10798]
  Pathway
hsa03410  Base excision repair
hsa04210  Apoptosis
hsa04217  Necroptosis
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Pentosyltransferases
    PARP1
     D10732  Talazoparib (USAN/INN)
    PARP2
     D10732  Talazoparib (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 1207456-01-6
PubChem: 254741693
ChEMBL: CHEMBL3137320
PDB-CCD: 2YQ[PDBj]
LinkDB All DBs
KCF data Show

ATOM        28
            1   C8y C     7.2394  -11.9899
            2   C8x C     7.9454  -13.1289
            3   C8y C     9.3453  -13.1919
            4   C8y C    10.0394  -11.9760
            5   C8y C     9.3333  -10.7670
            6   C8x C     7.9333  -10.7740
            7   C8y C    11.4393  -11.9691
            8   N5x N    12.1333  -10.7532
            9   N4x N    11.4272   -9.5442
            10  C8y C    10.0273   -9.5512
            11  C1y C    11.4513  -14.3939
            12  C1y C    12.1453  -13.1780
            13  X   F     5.8394  -11.9968
            14  C8y C    12.1573  -15.6029
            15  C8x C    11.4743  -16.7998
            16  C8x C    12.1805  -18.0087
            17  C8y C    13.5805  -18.0016
            18  C8x C    14.2635  -16.8046
            19  C8x C    13.5573  -15.5958
            20  X   F    14.2865  -19.2106
            21  C8y C    13.5453  -13.1711
            22  N5x N    14.3725  -14.2978
            23  C8x C    15.6997  -13.8593
            24  N5x N    15.6928  -12.4615
            25  N4y N    14.3613  -12.0362
            26  O5x O     9.3213   -8.3422
            27  C1a C    13.9922  -10.6857
            28  N1x N    10.0513  -14.4009
BOND        32
            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     7   8 2
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12   11  12 1
            13   12   7 1
            14    1  13 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19   18  19 2
            20   14  19 1
            21   17  20 1
            22   11  14 1 #Up
            23   12  21 1 #Down
            24   21  22 2
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   21  25 1
            29   10  26 2
            30   25  27 1
            31    3  28 1
            32   28  11 1

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