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

General Information of Drug (ID: DMTUPZ2)

Drug Name

Ezlopitant Drug Info

Synonyms

UNII-3L098A8MPY; 147116-64-1; CJ-11974; CHEMBL515966; 3L098A8MPY; Ezlopitant [USAN:INN]; Ezlopitant (USAN/INN); (2s,3s)-2-(diphenylmethyl)-n-(5-isopropyl-2-methoxybenzyl)quinuclidin-3-amine; AC1L4NQ6; SCHEMBL383011; AC1Q573W; SCHEMBL9069731; GTPL5751; BDBM50262567; CJ11974; (2S,3S)-2-benzhydryl-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1-azabicyclo[222]octan-3-amine; CJ 11974; CJ-11, 974; D04122; 2beta-(Diphenylmethyl)-3beta-(2-methoxy-5-isopropylbenzylamino)-1beta,4beta-ethanopiperidine; Ezlopitant (USAN/INN); 2-benzhydryl-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1-azabicyclo[222]octan-3-amine; CJ 11,974-01

Indication

Disease Entry	ICD 11	Status	REF
Irritable bowel syndrome	DD91.0	Discontinued in Phase 2	[1]
Vomiting	MD90	Discontinued in Phase 2	[1]
Pain	MG30-MG3Z	Investigative	[2]

Cross-matching ID

PubChem CID: 188927
CAS Number: CAS 147116-64-1
TTD Drug ID: DMTUPZ2
INTEDE Drug ID: DR1782

Molecule(s) Related to This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Substance-P receptor (TACR1)	TTZPO1L	NK1R_HUMAN	Antagonist	[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	Discontinued	[4]
Cytochrome P450 2D6 (CYP2D6)	DECB0K3	CP2D6_HUMAN	Discontinued	[4]
Cytochrome P450 3A5 (CYP3A5)	DEIBDNY	CP3A5_HUMAN	Discontinued	[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
Substance-P receptor (TACR1)	DTT	TACR1	3.597	4.186	4.271	5.113
Cytochrome P450 3A5 (CYP3A5)	DME	CYP3A5	10.08	7.207	5.403	9.211
Cytochrome P450 2D6 (CYP2D6)	DME	CYP2D6	3.307	5.005	3.921	5.327
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

Irritable bowel syndrome

ICD Disease Classification

DD91.0

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Substance-P receptor (TACR1)	DTT	TACR1	7.40E-01	0.02	0.07
Substance-P receptor (TACR1)	DTT	TACR1	8.57E-01	-0.02	-0.18
Cytochrome P450 3A5 (CYP3A5)	DME	CYP3A5	1.17E-01	-3.87E-02	-2.23E-01
Cytochrome P450 3A5 (CYP3A5)	DME	CYP3A5	9.74E-01	7.48E-03	1.37E-01
Cytochrome P450 2D6 (CYP2D6)	DME	CYP2D6	2.59E-01	6.29E-02	3.14E-01
Cytochrome P450 2D6 (CYP2D6)	DME	CYP2D6	4.84E-01	-8.38E-02	-8.46E-01
Cytochrome P450 3A4 (CYP3A4)	DME	CYP3A4	4.66E-01	4.25E-02	1.20E-01
Cytochrome P450 3A4 (CYP3A4)	DME	CYP3A4	4.75E-01	5.15E-02	3.64E-01

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: 5751).
2	Targeting pain-depressed behaviors in preclinical assays of pain and analgesia: drug effects on acetic acid-depressed locomotor activity in ICR mice. Life Sci. 2009 Aug 12;85(7-8):309-15.
3	Emerging drugs for chemotherapy-induced emesis. Expert Opin Emerg Drugs. 2006 Mar;11(1):137-51.
4	Metabolism of ezlopitant, a nonpeptidic substance P receptor antagonist, in liver microsomes: enzyme kinetics, cytochrome P450 isoform identity, and in vitro-in vivo correlation. Drug Metab Dispos. 2000 Sep;28(9):1069-76.