Drug Details
| General Information of the Drug (ID: DR8776) | ||||
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| Name |
Melphalan
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| Synonyms |
melphalan; 148-82-3; Alkeran; Melfalan; L-PAM; Phenylalanine mustard; L-Sarcolysine; L-Sarcolysin; L-Phenylalanine mustard; p-L-Sarcolysin; Levofalan; Melphalanum; Levopholan; Melfalano; Levofolan; L-Sarkolysin; 4-[Bis(2-chloroethyl)amino]-L-phenylalanine; Phenylalanine nitrogen mustard; p-Di-(2-chloroethyl)amino-L-phenylalanine; p-Bis(beta-chloroethyl)aminophenylalanine; 3-(p-(Bis(2-chloroethyl)amino)phenyl)-L-alanine; Melphalanum [INN-Latin]; p-N-Bis(2-chloroethyl)amino-L-phenylalanine; Melfalano [INN-Spanish]; 4-(Bis(2-chloroet
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| Molecular Type |
Small molecule
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| Disease | Ovarian cancer [ICD-11: 2C73] | Approved | [1] | |
| Structure |
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Click to Download Mol2D MOL |
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| ADMET Property |
BDDCS Class
Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability
Bioavailability
71% of drug becomes completely available to its intended biological destination(s)
Clearance
The drug present in the plasma can be removed from the body at the rate of 7 mL/min/kg
Elimination
12% of drug is excreted from urine in the unchanged form
Half-life
The concentration or amount of drug in body reduced by one-half in 1 hour
MRTD
The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 0.32765 micromolar/kg/day
Unbound Fraction
The unbound fraction of drug in plasma is 0.14%
Vd
Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 0.48 L/kg
Water Solubility
The ability of drug to dissolve in water is measured as 0.1 mg/mL
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| Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product | ||||
| Formula |
C13H18Cl2N2O2
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| PubChem CID | ||||
| Canonical SMILES |
C1=CC(=CC=C1CC(C(=O)O)N)N(CCCl)CCCl
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| InChI |
1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m0/s1
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| InChIKey |
SGDBTWWWUNNDEQ-LBPRGKRZSA-N
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| CAS Number |
CAS 148-82-3
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| TTD Drug ID | ||||
| DrugBank ID | ||||
| Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally | ||||||
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| α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug | ||||||
| Resveratrol | Gnetum parvifolium | Click to Show/Hide the Molecular Data of This NP | ||||
| Augmenting Drug Sensitivity | 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 |
Up-regulation | Cleavage | CASP7 | Molecule Info |
Pathway MAP
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| Up-regulation | Cleavage | CASP9 | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | CCNA1 | Molecule Info |
Pathway MAP
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| Down-regulation | Phosphorylation | CDK2 | Molecule Info |
Pathway MAP
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| Up-regulation | Phosphorylation | RAD53 | Molecule Info |
Pathway MAP
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| Up-regulation | Expression | TP53 | Molecule Info |
Pathway MAP
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| In-vitro Model | MCF-7 | CVCL_0031 | Invasive breast carcinoma | Homo sapiens | ||
| MDA-MB-231 | CVCL_0062 | Breast adenocarcinoma | Homo sapiens | |||
| Experimental
Result(s) |
Resveratrol chemosensitizes breast cancer cells to melphalan by cell cycle arrest. | |||||
