KEGG   DRUG: Tambiciclib
Entry
D13188                      Drug                                   
Name
Tambiciclib (USAN/INN)
Formula
C25H35ClN6O2S
Exact mass
518.2231
Mol weight
519.10
Structure
Class
Antineoplastic
 DG03138  CDK inhibitor
Efficacy
Antineoplastic, Cyclin-dependent kinase (CDK) inhibitor
Comment
Treatment of relapsed/refractory hematologic malignancies
Target
CDK9 [HSA:1025] [KO:K02211]
  Pathway
hsa05202  Transcriptional misregulation in cancer
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG03138  CDK inhibitor
   D13188  Tambiciclib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   CMGC group
    CDK9
     D13188  Tambiciclib (USAN/INN)
Other DBs
CAS: 2247481-08-7
PubChem: 520621149
LinkDB
KCF data

ATOM        35
            1   C1x C    24.4300  -13.0200
            2   C1y C    24.4300  -11.6200
            3   C1x C    23.2400  -10.9200
            4   C1x C    21.9800  -11.6200
            5   C1y C    21.9800  -13.0200
            6   C1x C    23.2400  -13.7200
            7   N1b N    20.7900  -13.7200
            8   C8y C    19.6000  -13.0200
            9   N5x N    19.6000  -11.6200
            10  C8x C    18.3400  -10.9200
            11  C8y C    17.1500  -11.6200
            12  C8y C    17.1500  -13.0200
            13  C8x C    18.3400  -13.7200
            14  X   Cl   15.9600  -10.9200
            15  C8y C    15.9600  -13.7200
            16  N5x N    14.6300  -13.3000
            17  C8y C    13.7900  -14.4200
            18  S2x S    14.6300  -15.5400
            19  C8x C    15.9600  -15.1200
            20  N1b N    12.3900  -14.4200
            21  C1b C    11.6200  -15.6100
            22  C1z C    10.2200  -15.6100
            23  C1x C     9.5200  -14.4200
            24  C1x C     8.1200  -14.4200
            25  O2x O     7.4200  -15.6800
            26  C1x C     8.1200  -16.8700
            27  C1x C     9.5200  -16.8700
            28  N1b N    25.6200  -10.9200
            29  C1c C    26.8100  -11.6200
            30  C1b C    28.0000  -10.9200
            31  O2a O    29.1900  -11.6200
            32  C1a C    30.3800  -10.9200
            33  C3b C    10.9200  -16.8000
            34  N3a N    11.6200  -18.0600
            35  C1a C    26.8100  -13.0200
BOND        38
            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     5   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15   11  14 1
            16   12  15 1
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 1
            21   15  19 2
            22   17  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   22  27 1
            31    2  28 1
            32   28  29 1
            33   29  30 1
            34   30  31 1
            35   31  32 1
            36   22  33 1
            37   33  34 3
            38   29  35 1 #Up

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