| Entry |
|
|---|
| Name |
Tesmilifene hydrochloride (USAN) |
|---|
| Formula |
C19H25NO. HCl
|
|---|
| Exact mass |
319.1703
|
|---|
| Mol weight |
319.8688
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG01585 Estrogen receptor antagonist
DG01620 Tamoxifene-type antineoplastic
Hormonal agent
DG01619 Estrogen receptor antagonist/modulator
|
|---|
| Efficacy |
Antineoplastic, Antihistaminic |
|---|
| Comment |
tamoxifen derivative
Chemopotentiator used in the treatment of patients with malignant solid tumors
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04750 | Inflammatory mediator regulation of TRP channels |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01585 Estrogen receptor antagonist
DG01620 Tamoxifene-type antineoplastic
D06084 Tesmilifene hydrochloride
Hormonal agent
DG01619 Estrogen receptor antagonist/modulator
D06084 Tesmilifene hydrochloride
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 |
|
|---|
| 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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