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iGMDRD422

Canonical SMILES: CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)F

InChI: InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)

InChI Key: FNHKPVJBJVTLMP-UHFFFAOYSA-N

Standard Name	CHEMBL	Pubchem CID	DRUGBANK ID	Drug Status	Drug Type
Regorafenib	CHEMBL1946170	11167600	DB08896	Alone	Small Molecule

Drug Class:

Antineoplastic Agents Antineoplastic and Immunomodulating Agents BCRP/ABCG2 Inhibitors Benzene Derivatives Cytochrome P-450 Enzyme Inhibitors Heterocyclic Compounds Heterocyclic Compounds, 1-Ring Hydrocarbons Hydrocarbons, Aromatic Hydrocarbons, Cyclic Kinase Inhibitor P-glycoprotein/ABCB1 Substrates Protein Kinase Inhibitors UGT1A1 Inhibitors Urea

Drug Targets:

FLT1 (P17948)KDR (P35968)FLT4 (P35916)KIT (P10721)PDGFRA (P16234)PDGFRB (P09619)FGFR1 (P11362)FGFR2 (P21802)TEK (Q02763)DDR2 (Q16832)NTRK1 (P04629)EPHA2 (P29317)RAF1 (P04049)BRAF (P15056)MAPK11 (Q15759)FRK (P42685)ABL1 (P00519)RET (P07949)

Drug-model tissue-cancer distribution: Bubble Plot

Drug-gene pathway enrichments

Drug-gene GO enrichments

Drug-Gene: Aster Plot

Gene ID	Gene Name	Model Num.
7514	XPO1	1
3845	KRAS	10
5159	PDGFRB	1
3791	KDR	1
7270	TTF1	1
5290	PIK3CA	1
5156	PDGFRA	5
3815	KIT	60

Gene in drug-gene network: Network Plot

Models in Regorafenib

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Disclaimer: iGMDR is intended for research purposes only. Its information cannot be used for emergencies or medical or professional advice.