Details of the Drug

General Information of Drug (ID: DMF57DM)

• Drug Name: Pazopanib
• Synonyms: Pazopanib; Pazopanib (GW-786034); 444731-52-6; 5-((4-((2,3-dimethyl-2H-indazol-6-yl)(methyl)amino)pyrimidin-2-yl)amino)-2-methylbenzenesulfonamide; 5-(4-((2,3-dimethyl-2H-indazol-6-yl)(methyl)amino)pyrimidin-2-ylamino)-2-methylbenzenesulfonamide; 5-[[4-[(2,3-dimethylindazol-6-yl)-methyl-amino]pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide; 790713-33-6; 7RN5DR86CK; CHEBI:71219; DSSTox_CID_28659; DSSTox_GSID_48733; DSSTox_RID_82929; GW 78603; GW 786034; GW-786034; GW786034; MFCD11616589; NCGC00188865-01; UNII-7RN5DR86CK

Indication

Disease Entry	ICD 11	Status	REF
Renal cell carcinoma	2C90	Approved	[1]

• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 437.5
  Topological Polar Surface Area (xlogp); 3.1
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 8
• ADMET Property:
  BDDCS Class: Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 2: low solubility and high permeability [2]
  Clearance: The drug present in the plasma can be removed from the body at the rate of 0.06 mL/min/kg [3]
  Half-life: The concentration or amount of drug in body reduced by one-half in 35 hours [3]
  Metabolism: The drug is metabolized via the CYP3A4 and to a lesser extent by CYP1A2 and CYP2C8 [4]
  Unbound Fraction: The unbound fraction of drug in plasma is 0.01% [3]
  Vd: The volume of distribution (Vd) of drug is 11.1 L [5]
• Chemical Identifiers:
  Formula: C21H23N7O2S
  IUPAC Name: 5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide
  Canonical SMILES: CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N
  InChI: CUIHSIWYWATEQL-UHFFFAOYSA-N
  InChIKey: 1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25)
• Cross-matching ID:
  PubChem CID: 10113978
  ChEBI ID: CHEBI:71219
  CAS Number: 444731-52-6
  DrugBank ID: DB06589
  INTEDE ID: DR1248

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4) Main DME	DE4LYSA	CP3A4_HUMAN	Substrate	[6]
Cytochrome P450 2D6 (CYP2D6)	DECB0K3	CP2D6_HUMAN	Substrate	[7]
Cytochrome P450 1A2 (CYP1A2)	DEJGDUW	CP1A2_HUMAN	Substrate	[6]
Cytochrome P450 2C8 (CYP2C8)	DES5XRU	CP2C8_HUMAN	Substrate	[6]

References

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