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iGMDRD401

Canonical SMILES: CN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC4CCOC4

InChI: InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1

InChI Key: ULXXDDBFHOBEHA-CWDCEQMOSA-N

Standard Name	CHEMBL	Pubchem CID	DRUGBANK ID	Drug Status	Drug Type
Afatinib	CHEMBL2105712 CHEMBL1173655	10184700	DB08916	Alone	Small Molecule

Drug Class:

Antineoplastic Agents Antineoplastic and Immunomodulating Agents BCRP/ABCG2 Inhibitors BCRP/ABCG2 Substrates Heterocyclic Compounds Heterocyclic Compounds, 2-Ring Kinase Inhibitor P-glycoprotein/ABCB1 Inhibitors P-glycoprotein/ABCB1 Substrates Protein Kinase Inhibitors

Drug Targets:

EGFR (P00533)ERBB2 (P04626)ERBB4 (Q15303)

Drug Pathways:

EGFR 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.
7514	XPO1	1
3845	KRAS	5
8289	ARID1A	2
4771	NF2	3
2195	FAT1	1
5175	PECAM1	1
1111	CHEK1	1
5605	MAP2K2	1
7158	TP53BP1	2
55294	FBXW7	2
25937	WWTR1	1
7428	VHL	2
2064	ERBB2	31
983	CDK1	1
6850	SYK	1
472	ATM	2
10413	YAP1	1
1029	CDKN2A	1
7157	TP53	1
4088	SMAD3	1
3673	ITGA2	1
6714	SRC	1
3791	KDR	1
4436	MSH2	1
57111	RAB25	2
4089	SMAD4	4
54658	UGT1A1	1
5290	PIK3CA	2
675	BRCA2	1
1956	EGFR	206
4609	MYC	1
5747	PTK2	1
673	BRAF	4
1938	EEF2	1
5728	PTEN	2
8821	INPP4B	1
2067	ERCC1	1
9223	MAGI1	2
2194	FASN	1
5111	PCNA	1
3717	JAK2	1
100862685	ERVK-19	1
5894	RAF1	1
4893	NRAS	1
2065	ERBB3	17
374	AREG	1
595	CCND1	1
4763	NF1	1
3265	HRAS	1
1499	CTNNB1	1
5624	PROC	1

Gene in drug-gene network: Network Plot

Models in Afatinib

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CLASSFICATION

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