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

General Information of Drug (ID: DMXYA5K)

Drug Name

Agomelatine Drug Info

Synonyms

Thymanax; Valdoxan; Agomelatine [INN]; AGO 178; AGO178; S 20098; S20098; AGO-178; Agomelatine(INN); S-20098; Valdoxan (TN); Valdoxan, Melitor, Thymanax, Agomelatine; N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide; N-(2-(7-Methoxy-1-naphthalenyl)ethyl)acetamide; N-(2-(7-Methoxynaphth-1-yl)ethyl)acetamide; N-(2-(7-methoxy-1-naphthyl)ethyl)acetamide

Indication

Disease Entry	ICD 11	Status	REF
Major depressive disorder	6A70.3	Withdrawn from market	[1]

Cross-matching ID

PubChem CID: 82148
ChEBI ID: CHEBI:134990
CAS Number: CAS 138112-76-2
TTD Drug ID: DMXYA5K
VARIDT Drug ID: DR00473
INTEDE Drug ID: DR0053

Molecule(s) Related to This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Melatonin receptor type 1A (MTNR1A)	TT0WAIE	MTR1A_HUMAN	Agonist	[2]

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	Highest Status	REF
Cytochrome P450 1A2 (CYP1A2)	DEJGDUW	CP1A2_HUMAN	Phase 4	[3]

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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 1A2 (CYP1A2)	DME	CYP1A2	10.036	5.779	6.508	6.481

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

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

ICD Disease Classification

06 Mental, behavioural or neurodevelopmental disorder

Disease Class

ICD-11: 6A20 Schizophrenia

The Studied Tissue

Pre-frontal cortex

The Studied Disease

Major depressive disorder [ICD-11:6A20]

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Melatonin receptor type 1A (MTNR1A)	DTT	MTNR1A	5.71E-01	-0.08	-0.54
Cytochrome P450 1A2 (CYP1A2)	DME	CYP1A2	8.68E-01	3.64E-02	2.72E-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: 198).
2	Melatonin receptor agonists: SAR and applications to the treatment of sleep-wake disorders. Curr Top Med Chem. 2008;8(11):954-68.
3	Does celecoxib inhibit agomelatine metabolism via CYP2C9 or CYP1A2? Drug Des Devel Ther. 2018 Jul 11;12:2169-2172.