KEGG   DRUG: TanzisertibHelp
Entry
D10168                      Drug                                   

Name
Tanzisertib (USAN)
Formula
C21H23F3N6O2
Exact mass
448.1835
Mol weight
448.4415
Structure
Mol fileKCF fileDB search
Efficacy
Antifibrotic, c-Jun N-terminal kinase inhibitor
Comment
Treatment of idiopathic pulmonary fibrosis (IPF)
Target
JNK [HSA:5599 5601 5602] [KO:K04440]
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   CMGC group
    JNK
     D10168  Tanzisertib (USAN)
BRITE hierarchy
Other DBs
CAS: 899805-25-5
PubChem: 135626886
ChEMBL: CHEMBL1950289
PDB-CCD: KBI[PDBj]
LigandBox: D10168
KCF data Show

ATOM        32
            1   C1y C    18.9700  -18.2700
            2   C1x C    18.9700  -19.6700
            3   C1x C    20.1824  -20.3700
            4   C1y C    21.3949  -19.6700
            5   C1x C    21.3949  -18.2700
            6   C1x C    20.1824  -17.5700
            7   O1a O    17.7576  -17.5700
            8   N1b N    22.6260  -20.3810
            9   C8y C    23.8312  -19.6853
            10  N5x N    25.0135  -20.3681
            11  C8y C    26.2260  -19.6683
            12  C8y C    26.2262  -18.2683
            13  C8x C    25.0438  -17.5855
            14  N5x N    23.8313  -18.2853
            15  N4y N    27.5575  -20.1010
            16  C8y C    28.3805  -18.9685
            17  N5x N    27.5577  -17.8358
            18  N1b N    29.7500  -18.9687
            19  C8y C    30.4496  -17.7573
            20  C8y C    31.8498  -17.7575
            21  C8x C    32.5500  -16.5451
            22  C8y C    31.8501  -15.3326
            23  C8x C    30.4499  -15.3324
            24  C8y C    29.7497  -16.5448
            25  C1y C    27.9889  -21.4290
            26  C1x C    27.1740  -22.5504
            27  O2x O    27.9888  -23.6719
            28  C1x C    29.3072  -23.2436
            29  C1x C    29.3072  -21.8574
            30  X   F    28.3502  -16.5446
            31  X   F    32.5514  -14.1184
            32  X   F    32.5596  -18.9869
BOND        36
            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 1 #Down
            8     4   8 1 #Up
            9     8   9 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   11  15 1
            17   15  16 1
            18   16  17 2
            19   12  17 1
            20   16  18 1
            21   18  19 1
            22   19  20 2
            23   20  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 2
            27   19  24 1
            28   25  15 1 #Up
            29   25  26 1
            30   26  27 1
            31   27  28 1
            32   28  29 1
            33   25  29 1
            34   24  30 1
            35   22  31 1
            36   20  32 1

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