KEGG   DRUG: Nemtabrutinib
Entry
D12504                      Drug                                   
Name
Nemtabrutinib (USAN/INN)
Formula
C25H23ClN4O4
Exact mass
478.1408
Mol weight
478.92
Structure
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG02022  BTK inhibitor
Efficacy
Antineoplastic, Bruton's tyrosine kinase inhibitor
Target
BTK [HSA:695] [KO:K07370]
  Pathway
hsa04064  NF-kappa B signaling pathway
hsa04380  Osteoclast differentiation
hsa04611  Platelet activation
hsa04662  B cell receptor signaling pathway
Interaction
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG02022  BTK inhibitor
    D12504  Nemtabrutinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Non-receptor tyrosine kinases
   TEC family
    BTK
     D12504  Nemtabrutinib (USAN/INN)
Other DBs
CAS: 2095393-15-8
PubChem: 497620917
PDB-CCD: HRA[PDBj]
LinkDB
KCF data

ATOM        34
            1   C8x C    14.7755  -13.1637
            2   N5x N    14.7755  -14.5643
            3   C8y C    15.9884  -15.2646
            4   C8y C    17.2014  -14.5643
            5   C8y C    17.2014  -13.1637
            6   N5x N    15.9884  -12.4635
            7   C8y C    18.5334  -14.9971
            8   C8x C    19.3566  -13.8640
            9   N4x N    18.5334  -12.7310
            10  C5a C    18.9647  -16.3244
            11  C8y C    20.3652  -16.3244
            12  O5a O    18.1503  -17.4455
            13  C8x C    21.0646  -17.5356
            14  C8x C    22.4652  -17.5356
            15  C8y C    23.1655  -16.3226
            16  C8x C    22.4661  -15.1114
            17  C8y C    21.0655  -15.1114
            18  O2a O    24.5794  -16.3227
            19  C8y C    25.2831  -15.1040
            20  C8x C    26.6802  -15.1041
            21  C8x C    27.3806  -13.8913
            22  C8x C    26.6804  -12.6783
            23  C8x C    25.2833  -12.6781
            24  C8x C    24.5829  -13.8910
            25  X   Cl   20.3740  -13.9137
            26  N1b N    15.9884  -16.6650
            27  C1y C    14.7587  -17.3751
            28  C1x C    13.5542  -16.6798
            29  O2x O    12.3413  -17.3800
            30  C1y C    12.3414  -18.7806
            31  C1x C    13.5458  -19.4760
            32  C1x C    14.7587  -18.7757
            33  C1b C    11.1223  -19.4846
            34  O1a O     9.9103  -18.7850
BOND        38
            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    5   9 1
            11    7  10 1
            12   10  11 1
            13   10  12 2
            14   11  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   11  17 1
            20   15  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   17  25 1
            29    3  26 1
            30   27  26 1 #Down
            31   27  28 1
            32   28  29 1
            33   29  30 1
            34   30  31 1
            35   31  32 1
            36   27  32 1
            37   30  33 1 #Up
            38   33  34 1

» Japanese version   » Back

DBGET integrated database retrieval system