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

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Standard Name
CHEMBL
Pubchem CID
DRUGBANK ID
Drug Status
Drug Type
Standard NameErismodegib
CHEMBLCHEMBL2105737 CHEMBL3137317
Pubchem CID24775000
DRUGBANK IDDB09143
Drug StatusAlone
Drug TypeSmall Molecule


Drug Targets:

SMO (Q99835)

Drug-model tissue-cancer distribution: Bubble Plot

UTERUtissue: UTERU cancer: UTERUS model num: 0UTERUStissue: UTERUS cancer: undefined model num: 1undefinetissue: undefine cancer: undefined model num: 0undefinedtissue: undefined cancer: PANCAN model num: 1SKItissue: SKI cancer: SKIN model num: 0SKINtissue: SKIN cancer: Basal Cell Carcinoma (BCC) model num: 1SKINtissue: SKIN cancer: Skin Cancer, Non-Melanoma model num: 4BRAItissue: BRAI cancer: BRAIN model num: 0BRAINtissue: BRAIN cancer: Embryonal Tumor model num: 2

Drug-gene pathway enrichments

Drug-gene GO enrichments

Drug-Gene: Aster Plot


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Gene ID
Gene Name
Model Num.
9077 DIRAS3 1
54498 SMOX 1
5727 PTCH1 6
3717 JAK2 1
Showing 1 to 4 of 4 rows

Gene in drug-gene network: Network Plot

Models in Erismodegib

Model
Level
Reference ID
Tissue
Cancer
Drug
Clinical Response
Source
EXP(DIRAS3) protein MCLP UTERUS undefined erismodegib sensitivity in vitro
EXP(JAK2) protein MCLP undefined PANCAN erismodegib resistance in vitro
MUT(SMO) gene 26546616 SKIN Basal Cell Carcinoma (BCC) LDE225 resistance or unresponsive in vivo
TC-MUT(PTCH1) gene 24900187 BRAIN Embryonal Tumor Sonidegib sensitivity in vivo
TC-MUT(PTCH1) gene 24523439 BRAIN Embryonal Tumor Sonidegib sensitivity in vivo
TC-MUT(PTCH1) gene 24900187 SKIN Skin Cancer, Non-Melanoma Sonidegib sensitivity in vivo
TC-MUT(PTCH1) gene 22670903 SKIN Skin Cancer, Non-Melanoma Sonidegib sensitivity in vivo
TC-MUT(PTCH1) gene 22670904 SKIN Skin Cancer, Non-Melanoma Sonidegib sensitivity in vivo
TC-MUT(PTCH1) gene 24523439 SKIN Skin Cancer, Non-Melanoma Sonidegib sensitivity in vivo
Showing 1 to 9 of 9 rows

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