Natural Product (NP) Details
| General Information of the NP (ID: NP0754) | |||||
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| Name |
Cordycepin
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| Synonyms |
3'-deoxyadenosine
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| Species Origin | Prunus persica ... | Click to Show/Hide | |||
| Prunus persica | |||||
| Allium cepa | |||||
| Cordyceps militaris | |||||
| Disease | Hepatocellular carcinoma [ICD-11: 2C12] | Investigative | [1] | ||
| Structure |
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Click to Download Mol2D MOL |
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| ADMET Property |
Absporption
Caco-2 Permeability
-5.769
MDCK Permeability
-5.422
PAMPA
+++
HIA
- -
Distribution
VDss
-0.034
PPB
10.6%
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
10.335
T1/2
2.02
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 |
C10H13N5O3
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| PubChem CID | |||||
| Canonical SMILES |
C1C(OC(C1O)N2C=NC3=C(N=CN=C32)N)CO
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| InChI |
1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1
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| InChIKey |
OFEZSBMBBKLLBJ-BAJZRUMYSA-N
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| CAS Number |
CAS 73-03-0
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| Herb ID | |||||
| SymMap ID | |||||
| 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 | ||||||
| Apatinib | Breast cancer | Click to Show/Hide the Molecular Data of This Drug | ||||
| Achieving Therapeutic Synergy | Click to Show/Hide | |||||
| Representative Experiment Reporting the Effect of This Combination | [2] | |||||
| Detail(s) |
Combination Info
click to show the detail info of this combination
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| Molecule(s)
Regulation |
Down-regulation | Phosphorylation | AKT1 | Molecule Info |
Pathway MAP
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| 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 | Phosphorylation | PIK3CB | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | VEGFA | Molecule Info |
Pathway MAP
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| In-vitro Model | A-549 | CVCL_0023 | Lung adenocarcinoma | Homo sapiens | ||
| PC-9 | CVCL_B260 | Lung adenocarcinoma | Homo sapiens | |||
| Experimental
Result(s) |
Combination of cordycepin and apatinib synergistically inhibits NSCLC cells by down-regulating VEGF/PI3K/Akt signaling pathway. | |||||
