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Accession NumberDB04442  (EXPT00015)
TypeSmall Molecule
DescriptionNot Available
SynonymsNot Available
Prescription ProductsNot Available
Generic Prescription ProductsNot Available
Over the Counter ProductsNot Available
International BrandsNot Available
Brand mixturesNot Available
SaltsNot Available
CategoriesNot Available
CAS numberNot Available
WeightNot Available
Chemical FormulaC13H11N5O
InChI KeyNot Available
InChINot Available
IUPAC NameNot Available
SMILESNot Available
Mass SpecNot Available
KingdomNot Available
SuperclassNot Available
ClassNot Available
SubclassNot Available
Direct parentNot Available
Alternative parentsNot Available
SubstituentsNot Available
Classification descriptionNot Available
IndicationNot Available
PharmacodynamicsNot Available
Mechanism of actionNot Available
AbsorptionNot Available
Volume of distributionNot Available
Protein bindingNot Available
Route of eliminationNot Available
Half lifeNot Available
ClearanceNot Available
ToxicityNot Available
Affected organismsNot Available
PathwaysNot Available
SNP Mediated EffectsNot Available
SNP Mediated Adverse Drug ReactionsNot Available
Predicted ADMET features
Property Value Probability
Human Intestinal Absorption + 0.8901
Blood Brain Barrier + 0.9357
Caco-2 permeable - 0.6879
P-glycoprotein substrate Non-substrate 0.6081
P-glycoprotein inhibitor I Non-inhibitor 0.9155
P-glycoprotein inhibitor II Non-inhibitor 0.9199
Renal organic cation transporter Non-inhibitor 0.7245
CYP450 2C9 substrate Non-substrate 0.7512
CYP450 2D6 substrate Non-substrate 0.8086
CYP450 3A4 substrate Non-substrate 0.5961
CYP450 1A2 substrate Inhibitor 0.8437
CYP450 2C9 substrate Non-inhibitor 0.8562
CYP450 2D6 substrate Non-inhibitor 0.8246
CYP450 2C19 substrate Non-inhibitor 0.6655
CYP450 3A4 substrate Non-inhibitor 0.8124
CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.8259
Ames test Non AMES toxic 0.5683
Carcinogenicity Non-carcinogens 0.9279
Biodegradation Not ready biodegradable 0.9941
Rat acute toxicity 2.5867 LD50, mol/kg Not applicable
hERG inhibition (predictor I) Weak inhibitor 0.995
hERG inhibition (predictor II) Non-inhibitor 0.692
ManufacturersNot Available
PackagersNot Available
Dosage formsNot Available
PricesNot Available
PatentsNot Available
Experimental PropertiesNot Available
Predicted PropertiesNot Available
SpectraNot Available
Synthesis ReferenceNot Available
General ReferenceNot Available
External Links
PubChem Compound5353308
PubChem Substance46506935
ATC CodesNot Available
AHFS CodesNot Available
PDB Entries
FDA labelNot Available
MSDSNot Available
Drug InteractionsNot Available
Food InteractionsNot Available


1. Trypsin-1

Kind: protein

Organism: Human

Pharmacological action: unknown


Name UniProt ID Details
Trypsin-1 P07477 Details


  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. Pubmed
  3. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. Pubmed

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Drug created on June 13, 2005 07:24 / Updated on September 16, 2013 17:24