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iGMDRD542

Canonical SMILES: CC1CN(CC(O1)C)C2=NC=C(C=C2)NC(=O)C3=CC=CC(=C3C)C4=CC=C(C=C4)OC(F)(F)F

InChI: InChI=1S/C26H26F3N3O3/c1-16-14-32(15-17(2)34-16)24-12-9-20(13-30-24)31-25(33)23-6-4-5-22(18(23)3)19-7-10-21(11-8-19)35-26(27,28)29/h4-13,16-17H,14-15H2,1-3H3,(H,31,33)/t16-,17+

InChI Key: VZZJRYRQSPEMTK-CALCHBBNSA-N

Standard Name	CHEMBL	Pubchem CID	DRUGBANK ID	Drug Status	Drug Type
Erismodegib	CHEMBL2105737 CHEMBL3137317	24775000	DB09143	Alone	Small Molecule

Drug Class:

Antineoplastic Agents Antineoplastic and Immunomodulating Agents Benzene Derivatives Hedgehog Pathway Inhibitor Heterocyclic Compounds Heterocyclic Compounds, 1-Ring Hydrocarbons Hydrocarbons, Aromatic Hydrocarbons, Cyclic

Drug Targets:

SMO (Q99835)

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.
9077	DIRAS3	1
54498	SMOX	1
5727	PTCH1	6
3717	JAK2	1

Gene in drug-gene network: Network Plot

Models in Erismodegib

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DATATYPES

CLASSFICATION

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