KEGG   DRUG: Tesmilifene hydrochloride
Entry
D06084                      Drug                                   

Name
Tesmilifene hydrochloride (USAN)
Formula
C19H25NO. HCl
Exact mass
319.1703
Mol weight
319.8688
Structure
Class
Other
 DG01619  Clomifene and tamoxifen derivative
  DG01620  Tamoxifene-type antineoplastic
Efficacy
Antineoplastic, Antihistaminic
Comment
tamoxifen derivative
Chemopotentiator used in the treatment of patients with malignant solid tumors
Target
HRH1 [HSA:3269] [KO:K04149]
ABCB1 (CD243) [HSA:5243] [KO:K05658]
  Pathway
hsa02010  ABC transporters
hsa04080  Neuroactive ligand-receptor interaction
hsa04750  Inflammatory mediator regulation of TRP channels
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D06084  Tesmilifene hydrochloride (USAN)
 Enzymes
  Hydrolases (EC3)
   ATPase
    ABCB1 (CD243)
     D06084  Tesmilifene hydrochloride (USAN)
Other DBs
CAS: 92981-78-7
PubChem: 47207742
ChEMBL: CHEMBL2107467
LigandBox: D06084
KCF data

ATOM        22
            1   C8x C    17.6899  -17.2304
            2   C8x C    17.6899  -18.6365
            3   C8x C    18.9076  -19.3396
            4   C8x C    20.1254  -18.6365
            5   C8y C    20.1254  -17.2304
            6   C8x C    18.9076  -16.5273
            7   C8y C    22.5609  -17.2304
            8   C1b C    21.3432  -16.5273
            9   C8x C    22.5609  -18.6364
            10  C8x C    23.7787  -19.3395
            11  C8y C    24.9965  -18.6364
            12  C8x C    24.9965  -17.2304
            13  C8x C    23.7787  -16.5273
            14  O2a O    26.2183  -19.3418
            15  C1b C    27.4211  -18.6473
            16  C1b C    28.6126  -19.3352
            17  N1c N    29.8097  -18.6439
            18  C1b C    31.0041  -19.3335
            19  C1b C    29.8097  -17.2307
            20  C1a C    31.0073  -16.5389
            21  C1a C    32.1996  -18.6430
            22  X   Cl   30.8000  -21.2100
BOND        22
            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     7   8 1
            8     5   8 1
            9     7   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    7  13 1
            15   11  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   17  19 1
            21   19  20 1
            22   18  21 1

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