KEGG   DRUG: Zotiraciclib
Entry
D11599                      Drug                                   
Name
Zotiraciclib (USAN)
Formula
C23H24N4O
Exact mass
372.1950
Mol weight
372.46
Structure
Class
Antineoplastic
 DG03138  CDK inhibitor
Anti-inflammatory
 DG01985  Disease modifying anti-rheumatic drug (DMARD)
  DG02020  JAK inhibitor
Remark
Chemical structure group: DG03058
Efficacy
Antineoplastic
Comment
Treatment of solid and hematologic tumors
Target
CDK1 [HSA:983] [KO:K02087]
CDK2 [HSA:1017] [KO:K02206]
CDK7 [HSA:1022] [KO:K02202]
CDK9 [HSA:1025] [KO:K02211]
JAK2 [HSA:3717] [KO:K04447]
FLT3 (CD135) [HSA:2322] [KO:K05092]
  Pathway
hsa04110  Cell cycle
hsa04151  PI3K-Akt signaling pathway
hsa04640  Hematopoietic cell lineage
hsa05200  Pathways in cancer
Interaction
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG03138  CDK inhibitor
   DG03058  Zotiraciclib
    D11599  Zotiraciclib
 Anti-inflammatory
  DG01985  Disease modifying anti-rheumatic drug (DMARD)
   DG02020  JAK inhibitor
    DG03058  Zotiraciclib
     D11599  Zotiraciclib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   CMGC group
    CDK1
     D11599  Zotiraciclib (USAN)
    CDK2
     D11599  Zotiraciclib (USAN)
    CDK7
     D11599  Zotiraciclib (USAN)
    CDK9
     D11599  Zotiraciclib (USAN)
  Receptor tyrosine kinases (RTK)
   PDGFR family
    FLT3 (CD135)
     D11599  Zotiraciclib (USAN)
  Non-receptor tyrosine kinases
   JAK family
    JAK2
     D11599  Zotiraciclib (USAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG03138  CDK inhibitor
   DG03058  Zotiraciclib
 Anti-inflammatory
  DG01985  Disease modifying anti-rheumatic drug (DMARD)
   DG02020  JAK inhibitor
    DG03058  Zotiraciclib
Other DBs
CAS: 1204918-72-8
PubChem: 405226466
LinkDB
KCF data

ATOM        28
            1   C8y C    17.5000  -17.9200
            2   C8x C    17.5000  -19.3200
            3   C8x C    18.7124  -20.0200
            4   C8x C    19.9249  -19.3200
            5   C8y C    19.9249  -17.9200
            6   C8x C    18.7124  -17.2200
            7   N2x N    21.1560  -17.2090
            8   C8y C    21.1560  -15.8090
            9   N5x N    22.3517  -15.1187
            10  C8x C    22.3517  -13.7187
            11  C8x C    21.1393  -13.0187
            12  C8y C    19.9436  -13.7090
            13  N4x N    19.9436  -15.1090
            14  C8y C    18.7407  -13.0145
            15  C8x C    18.7408  -11.6201
            16  C8x C    17.5284  -10.9201
            17  C8x C    16.3159  -11.6200
            18  C8y C    16.3158  -13.0144
            19  C8x C    17.5282  -13.7144
            20  O2x O    15.0965  -13.7182
            21  C1x C    13.9026  -13.0286
            22  C1x C    12.7144  -13.7145
            23  C2x C    12.7144  -15.1145
            24  C2x C    13.9484  -15.8270
            25  C1x C    13.9484  -17.2270
            26  N1y N    15.1440  -17.9172
            27  C1x C    16.3371  -17.2282
            28  C1a C    15.1442  -19.3198
BOND        31
            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     5   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 1
            15   12  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   14  19 1
            22   18  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27   1 1
            31   26  28 1

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