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iGMDRD614

Canonical SMILES: CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F

InChI: InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)

InChI Key: BFSMGDJOXZAERB-UHFFFAOYSA-N

Standard Name	CHEMBL	Pubchem CID	DRUGBANK ID	Drug Status	Drug Type
Dabrafenib	CHEMBL2028663 CHEMBL2105729	44462800	DB08912	Alone	Small Molecule

Drug Class:

Amines Antineoplastic Agents Antineoplastic and Immunomodulating Agents Azoles BCRP/ABCG2 Inhibitors BCRP/ABCG2 Substrates Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A4 Inducers Cytochrome P-450 CYP3A4 Inducers (moderate)Cytochrome P-450 Enzyme Inducers Enzyme Inhibitors Heterocyclic Compounds Heterocyclic Compounds, 1-Ring Hydroxylamines Hyperglycemia-Associated Agents Kinase Inhibitor P-glycoprotein/ABCB1 Substrates Potential QTc-Prolonging Agents Protein Kinase Inhibitors Proto-Oncogene Proteins B-raf, antagonists & inhibitors QTc Prolonging Agents

Drug Targets:

BRAF (P15056)RAF1 (P04049)SIK1 (P57059)NEK11 (Q8NG66)LIMK1 (P53667)

Drug Pathways:

ERK MAPK signaling

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.
8266	UBL4A	3
4771	NF2	2
5605	MAP2K2	5
2033	EP300	1
25937	WWTR1	1
10018	BCL2L11	1
7157	TP53	2
5604	MAP2K1	3
6035	RNASE1	1
57111	RAB25	1
54894	RNF43	1
4609	MYC	1
26278	SACS	1
673	BRAF	371
2648	KAT2A	1
4893	NRAS	9
79577	CDC73	1

Gene in drug-gene network: Network Plot

Models in Dabrafenib

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