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iGMDRD551

Canonical SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5

InChI: InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)

InChI Key: PHXJVRSECIGDHY-UHFFFAOYSA-N

Standard Name	CHEMBL	Pubchem CID	DRUGBANK ID	Drug Status	Drug Type
Ponatinib	CHEMBL1171837 CHEMBL2105708	24826800	DB08901	Alone	Small Molecule

Drug Class:

Antineoplastic Agents Antineoplastic and Immunomodulating Agents Azoles BCRP/ABCG2 Inhibitors BCRP/ABCG2 Substrates Cytochrome P-450 Enzyme Inhibitors Enzyme Inhibitors Heterocyclic Compounds Heterocyclic Compounds, 1-Ring Immunosuppressive Agents Kinase Inhibitor Myelosuppressive Agents P-glycoprotein/ABCB1 Inhibitors P-glycoprotein/ABCB1 Substrates Protein Kinase Inhibitors

Drug Targets:

ABL1 (P00519)BCR (P11274)KIT (P10721)RET (P07949)TEK (Q02763)FLT3 (P36888)FGFR1 (P11362)FGFR2 (P21802)FGFR3 (P22607)FGFR4 (P22455)LCK (P06239)SRC (P12931)LYN (P07948)KDR (P35968)PDGFRA (P16234)

Drug Pathways:

RTK 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	2
1387	CREBBP	1
5175	PECAM1	1
7307	U2AF1	1
25937	WWTR1	1
7416	VDAC1	1
2260	FGFR1	4
2064	ERBB2	1
3932	LCK	1
4088	SMAD3	1
2322	FLT3	6
2263	FGFR2	9
1019	CDK4	1
6389	SDHA	1
57111	RAB25	1
4089	SMAD4	1
4214	MAP3K1	1
3553	IL1B	1
5156	PDGFRA	1
1938	EEF2	1
2113	ETS1	1
2067	ERCC1	1
2194	FASN	2
1385	CREB1	1
3815	KIT	8
5925	RB1	1
4893	NRAS	2
25	ABL1	31
581	BAX	1

Gene in drug-gene network: Network Plot

Models in Ponatinib

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