KEGG   DRUG: MasoprocolHelp
Entry
D04862                      Drug                                   

Name
Masoprocol (USAN/INN);
meso-Nordihydroguaiaretic acid;
Actinex (TN)
Formula
C18H22O4
Exact mass
302.1518
Mol weight
302.3649
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: L01XX10
Efficacy
Anti-inflammatory, Antineoplastic
Target
EGFR [HSA:1956] [KO:K04361]
IGF1 [HSA:3479] [KO:K05459]
  Pathway
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway
hsa05200  Pathways in cancer
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XX Other antineoplastic agents
     L01XX10 Masoprocol
      D04862  Masoprocol (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   EGFR family
    EGFR
     D04862  Masoprocol (USAN/INN)
  Non-receptor tyrosine kinases
   InsR family
    IGF1
     D04862  Masoprocol (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 27686-84-6
PubChem: 47206636
ChEBI: 73468
ChEMBL: CHEMBL313972
DrugBank: DB00179
LigandBox: D04862
NIKKAJI: J262.609H
LinkDB All DBs
KCF data Show

ATOM        22
            1   C8y C    12.3200  -17.4300
            2   C8y C    12.3200  -18.8300
            3   C8x C    13.5324  -19.5300
            4   C8x C    14.7449  -18.8300
            5   C8y C    14.7449  -17.4300
            6   C8x C    13.5324  -16.7300
            7   C1b C    15.9760  -16.7190
            8   O1a O    11.1076  -19.5300
            9   C1c C    17.1812  -17.4147
            10  C1c C    18.3635  -16.7319
            11  C1b C    19.5575  -17.4212
            12  C1a C    17.1816  -18.8296
            13  O1a O    11.1076  -16.7300
            14  C1a C    18.3635  -15.3302
            15  C8y C    20.7454  -16.7352
            16  C8x C    21.9365  -17.4229
            17  C8y C    23.1490  -16.7229
            18  C8y C    23.1490  -15.3229
            19  C8x C    21.9579  -14.6352
            20  C8x C    20.7455  -15.3352
            21  O1a O    24.3740  -14.6155
            22  O1a O    24.3802  -17.4339
BOND        23
            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     2   8 1
            9     7   9 1
            10    9  10 1
            11   10  11 1
            12    9  12 1 #Down
            13    1  13 1
            14   10  14 1 #Up
            15   11  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   15  20 1
            22   18  21 1
            23   17  22 1

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