Natural Product (NP) Details
| General Information of the NP (ID: NP0439) | |||||
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| Name |
Tetrandrine
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| Synonyms |
Tetrandrine, Millenia Hope; Tetrandrine, West Virginia University; Tranex-18
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| Species Origin | Stephania tetrandra ... | Click to Show/Hide | |||
| Stephania tetrandra | |||||
| Disease | Sarcoma [ICD-11: 2A60-2C35] | Phase 1 | [1] | ||
| Colorectal cancer [ICD-11: 2B91] | Discontinued in Phase 3 | [2] | |||
| Structure |
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Click to Download Mol2D MOL |
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| ADMET Property |
Absporption
Caco-2 Permeability
-4.612
MDCK Permeability
-4.667
PAMPA
- - -
HIA
- - -
Distribution
VDss
0.152
PPB
75%
BBB
+++
Metabolism
CYP1A2 inhibitor
- - -
CYP1A2 substrate
+++
CYP2C19 inhibitor
- - -
CYP2C19 substrate
+++
CYP2C9 inhibitor
- - -
CYP2C9 substrate
+++
CYP2D6 inhibitor
- - -
CYP2D6 substrate
+++
CYP3A4 inhibitor
- - -
CYP3A4 substrate
+++
CYP2B6 inhibitor
-
CYP2B6 substrate
+++
CYP2C8 inhibitor
- - -
HLM Stability
- -
Excretion
CLplasma
9.238
T1/2
2.567
Toxicity
DILI
- - -
Rat Oral Acute Toxicity
+
FDAMDD
+++
Respiratory
++
Human Hepatotoxicity
+
Ototoxicity
+
Drug-induced Nephrotoxicity
- -
Drug-induced Neurotoxicity
++
Hematotoxicity
- - -
Genotoxicity
-
Tips: 1. For the classification endpoints, the prediction probability values are transformed into six symbols: 0-0.1 (- - -), 0.1-0.3 (- -), 0.3-0.5 (-), 0.5-0.7 (+), 0.7-0.9 (++), and 0.9-1.0 (+++).
2. Additionally, the corresponding relationships of the three labels are as follows: excellent; medium; poor.
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| Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product | |||||
| Formula |
C38H42N2O6
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| PubChem CID | |||||
| Canonical SMILES |
CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC
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| InChI |
1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-/m0/s1
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| InChIKey |
WVTKBKWTSCPRNU-KYJUHHDHSA-N
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| CAS Number |
CAS 518-34-3
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| Herb ID | |||||
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| SymMap ID | |||||
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| TTD Drug ID | |||||
| Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally | ||||||
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| α. A List of Drug(s) Whose Efficacy can be Enhanced by This NP | ||||||
| Cisplatin | Bladder cancer | Click to Show/Hide the Molecular Data of This Drug | ||||
| Augmenting Drug Sensitivity | Click to Show/Hide | |||||
| Representative Experiment Reporting the Effect of This Combination | [3] | |||||
| Detail(s) |
Combination Info
click to show the detail info of this combination
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| Molecule(s)
Regulation |
Up-regulation | Expression | BAX | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | BCL-2 | Molecule Info |
Pathway MAP
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| Up-regulation | Cleavage | CASP3 | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | CDH1 | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | CTNNB1 | Molecule Info |
Pathway MAP
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| Up-regulation | Cleavage | PARP1 | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | VEGFA | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | WNT5A | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | WNT5B | Molecule Info |
Pathway MAP
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| In-vitro Model | OVCAR-3 | CVCL_0465 | Ovarian serous adenocarcinoma | Homo sapiens | ||
| Experimental
Result(s) |
Combination of Tetrandrine with cisplatin enhances cytotoxicity through growth suppression and apoptosis in ovarian cancer in vitro and in vivo. | |||||
| Target and Pathway | ||||
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| Target(s) | Calcium channel unspecific (CaC) | Molecule Info | [4] | |
| Gamma-Histone H2AX (H2AFX) | Molecule Info | |||
