Details of the Drug-Related molecule(s) Expression Atlas

General Information of Drug (ID: DM5IXKQ)

Drug Name

Vismodegib Drug Info

Synonyms

879085-55-9; GDC-0449; Erivedge; 2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide; Vismodegib (GDC-0449); HhAntag691; GDC0449; GDC 0449; UNII-25X868M3DS; CHEMBL473417; CHEBI:66903; 25X868M3DS; NSC755986; AK-77261; 2-chloro-N-[4-chloro-3-(pyridin-2-yl)phenyl]-4-(methylsulfonyl)benzamide; C19H14Cl2N2O3S; 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide; 2-chloro-n-(4-chloro-3-(2-pyridinyl)phenyl)-4-(methylsulfonyl)benzamide; Erivedge (TN); Vismodegib (SHH inhibitor); Gdc-0449

Indication

Disease Entry	ICD 11	Status	REF
Basal cell carcinoma	2C32	Approved	[1]
Primitive neuroectodermal tumour medulloblastoma	2A00.11	Phase 2	[2]

Cross-matching ID

PubChem CID: 24776445
ChEBI ID: CHEBI:66903
CAS Number: CAS 879085-55-9
TTD Drug ID: DM5IXKQ
VARIDT Drug ID: DR00234
INTEDE Drug ID: DR1698
ACDINA Drug ID: D00730

Molecule(s) Related to This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Smoothened homolog (SMO)	TT8J1S3	SMO_HUMAN	Modulator	[3]

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	Highest Status	REF
Cytochrome P450 3A4 (CYP3A4)	DE4LYSA	CP3A4_HUMAN	Approved	[4]
Cytochrome P450 2C9 (CYP2C9)	DE5IED8	CP2C9_HUMAN	Approved	[4]

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The Expression Level of Molecule(s) in Normal Tissue of Major ADME-Related Organs

Molecule	Molecule Type	Gene Name	Liver	Colon	Kidney	Small Intestine
Cytochrome P450 2C9 (CYP2C9)	DME	CYP2C9	11.76	5.931	6.164	9.423
Cytochrome P450 3A4 (CYP3A4)	DME	CYP3A4	11.692	6.58	4.984	9.089

Molecule Expression Atlas in Normal Tissue of Major ADME-related organs

The Expression Level of Molecule(s) between Disease Section and Healthy Individual Tissue

The Studied Disease

Basal cell carcinoma

ICD Disease Classification

2C32

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Smoothened homolog (SMO)	DTT	SMO	4.01E-06	-0.18	-0.35
Cytochrome P450 2C9 (CYP2C9)	DME	CYP2C9	4.91E-03	-1.59E-01	-3.84E-01
Cytochrome P450 3A4 (CYP3A4)	DME	CYP3A4	1.29E-36	-3.75E-01	-1.06E+00

Molecular Expression Atlas between Disease Section and Healthy Individual Tissue

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6975).
2	A phase II, multicenter, open-label, 3-cohort trial evaluating the efficacy and safety of vismodegib in operable basal cell carcinoma. J Am Acad Dermatol. 2015 Jul;73(1):99-105.e1.
3	Nat Rev Drug Discov. 2013 Feb;12(2):87-90.
4	The dawn of hedgehog inhibitors: Vismodegib. J Pharmacol Pharmacother. 2013 Jan;4(1):4-7.