KEGG   DRUG: NapabucasinHelp
Entry
D10717                      Drug                                   

Name
Napabucasin (JAN/USAN/INN)
Formula
C14H8O4
Exact mass
240.0423
Mol weight
240.2109
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Antineoplastic, Signal transducer and activator of transcription 3 (STAT3) inhibitor
Target
STAT3 [HSA:6774] [KO:K04692]
  Pathway
hsa04630  JAK-STAT signaling pathway
hsa05200  Pathways in cancer
Brite
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Signaling molecules
   Transcription factor
    STAT3
     D10717  Napabucasin (JAN/USAN/INN)
BRITE hierarchy
Other DBs
CAS: 83280-65-3
PubChem: 254741678
ChEMBL: CHEMBL64130
LinkDB All DBs
KCF data Show

ATOM        18
            1   C8y C    23.4500  -16.7300
            2   C5x C    20.0900  -18.1300
            3   C5x C    20.0900  -15.3300
            4   C8y C    18.9000  -17.4300
            5   O5x O    20.0900  -19.5300
            6   C8y C    18.9000  -16.0300
            7   O5x O    20.0900  -13.9300
            8   C8x C    17.7100  -18.1300
            9   C8x C    17.7100  -15.3300
            10  C8x C    16.4500  -17.4300
            11  C8x C    16.4500  -16.0300
            12  C8y C    21.2800  -16.0300
            13  C8y C    21.2800  -17.4300
            14  C8x C    22.6800  -17.8500
            15  O2x O    22.6100  -15.6100
            16  C5a C    24.8500  -16.7300
            17  C1a C    25.5500  -17.9200
            18  O5a O    25.5500  -15.5176
BOND        20
            1    13   2 1
            2    12   3 1
            3     2   4 1
            4     2   5 2
            5     3   6 1
            6     3   7 2
            7     4   8 1
            8     6   9 1
            9     8  10 2
            10    9  11 2
            11    4   6 2
            12   10  11 1
            13   12  13 2
            14   13  14 1
            15   14   1 2
            16    1  15 1
            17   15  12 1
            18    1  16 1
            19   16  17 1
            20   16  18 2

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