KEGG   DRUG: ZotiraciclibHelp
Entry
D11599                      Drug                                   

Name
Zotiraciclib (USAN)
Formula
C23H24N4O
Exact mass
372.195
Mol weight
372.4629
Structure
Mol fileKCF fileDB search
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
Brite
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)
BRITE hierarchy
Other DBs
CAS: 1204918-72-8
ChEMBL: CHEMBL1944698
LinkDB All DBs
KCF data Show

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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