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

General Information of Drug (ID: DMVU687)

Drug Name

Esketamine Drug Info

Synonyms

(S)-Ketamine; l-Ketamine; (S)-(-)-Ketamine; 33643-46-8; S-Ketamine; UNII-50LFG02TXD; 50LFG02TXD; (S)-2-(o-chlorophenyl)-2-(methylamino)cyclohexanone; CHEBI:60799; esketamine HCl; (2S)-2-(2-chlorophenyl)-2-(methylamino)cyclohexanone; cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-, (2S)-; 6740-88-1 (Parent); Esketamine [USAN:INN:BAN]; S-Ketamin; S-(-)-Ketamine; Esketamine (USAN/INN); AC1L4AD8; DSSTox_CID_27787; DSSTox_RID_82562; DSSTox_GSID_47810; SCHEMBL5512024; GTPL9152; CHEMBL395091; DTXSID6047810; YQEZ

Indication

Disease Entry	ICD 11	Status	REF
Depression	6A70-6A7Z	Phase 3	[1]

Cross-matching ID

PubChem CID: 182137
ChEBI ID: CHEBI:60799
CAS Number: CAS 33643-46-8
TTD Drug ID: DMVU687
INTEDE Drug ID: DR0621

Molecule-Related Drug Atlas

Molecule Type:

DTT

DME

Drug Status:

Approved Drug(s)

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Drug(s) Targeting N-methyl-D-aspartate receptor (NMDAR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
L-Glutamic Acid	DM4PUDW	Schizophrenia	6A20	Approved	[4]
Cycloserine	DMT1I52	Bacterial infection	1A00-1C4Z	Approved	[5]
Benzphetamine	DMIJATC	Obesity	5B81	Approved	[6]
Ketamine	DMT5HA4	Anaesthesia	9A78.6	Approved	[7]
Felbamate	DM1V5ZS	Epilepsy	8A60-8A68	Approved	[8]
Memantine	DMD9WSC	Alzheimer disease	8A20	Approved	[9]
Huperzine A	DMMAWLU	Alzheimer disease	8A20	Approved	[10]
Levorphanol	DMGS80V	Pain	MG30-MG3Z	Approved	[11]
Magnesium Sulfate	DMVEK07	Acute pain	MG31	Approved	[12]
Magnesium	DMU4ORS	Ischemic stroke	8B11.5Z	Approved	[13]
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Drug(s) Metabolized By Cytochrome P450 3A4 (CYP3A4)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[14]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[15]
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[16]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[17]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[18]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[19]
Etoposide	DMNH3PG	Acute myelogenous leukaemia	2A41	Approved	[20]
Zidovudine	DM4KI7O	Human immunodeficiency virus infection	1C62	Approved	[21]
Prasterone	DM67VKL	Chronic obstructive pulmonary disease	CA22	Approved	[15]
Verapamil	DMA7PEW	Angina pectoris	BA40	Approved	[22]
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Drug(s) Metabolized By Cytochrome P450 2C9 (CYP2C9)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[23]
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[24]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[25]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[26]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[27]
Zidovudine	DM4KI7O	Human immunodeficiency virus infection	1C62	Approved	[26]
Verapamil	DMA7PEW	Angina pectoris	BA40	Approved	[28]
Diclofenac	DMPIHLS	Chronic renal failure	GB61.Z	Approved	[29]
Estrone	DM5T6US	Acne vulgaris	ED80	Approved	[30]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[31]
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Drug(s) Metabolized By Cytochrome P450 2B6 (CYP2B6)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[32]
Verapamil	DMA7PEW	Angina pectoris	BA40	Approved	[26]
Diclofenac	DMPIHLS	Chronic renal failure	GB61.Z	Approved	[33]
Estrone	DM5T6US	Acne vulgaris	ED80	Approved	[25]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[34]
Irinotecan	DMP6SC2	Adenocarcinoma	2D40	Approved	[35]
Propofol	DMB4OLE	Anaesthesia	9A78.6	Approved	[36]
Nicotine	DMWX5CO	Lung cancer	2C25.0	Approved	[37]
Phenytoin	DMNOKBV	Epilepsy	8A60-8A68	Approved	[38]
Amitriptyline	DMK7F9S	Depression	6A70-6A7Z	Approved	[39]
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Drug(s) Metabolized By Mephenytoin 4-hydroxylase (CYP2C19)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Amoxicillin	DMUYNEI	Acute otitis media	AB00	Approved	[40]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[23]
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[41]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[42]
Zidovudine	DM4KI7O	Human immunodeficiency virus infection	1C62	Approved	[26]
Verapamil	DMA7PEW	Angina pectoris	BA40	Approved	[43]
Diclofenac	DMPIHLS	Chronic renal failure	GB61.Z	Approved	[44]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[31]
Quinine	DMSWYF5	Malaria	1F40-1F45	Approved	[45]
Propofol	DMB4OLE	Anaesthesia	9A78.6	Approved	[46]
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Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

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Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
N-methyl-D-aspartate receptor (NMDAR)	TT9IK2Z	NOUNIPROTAC	Antagonist	[1]

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4)	DE4LYSA	CP3A4_HUMAN	Substrate	[2]
Cytochrome P450 2C9 (CYP2C9)	DE5IED8	CP2C9_HUMAN	Substrate	[2]
Mephenytoin 4-hydroxylase (CYP2C19)	DEGTFWK	CP2CJ_HUMAN	Substrate	[3]
Cytochrome P450 2B6 (CYP2B6)	DEPKLMQ	CP2B6_HUMAN	Substrate	[2]

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References

1	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
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23	Progesterone and testosterone hydroxylation by cytochromes P450 2C19, 2C9, and 3A4 in human liver microsomes. Arch Biochem Biophys. 1997 Oct 1;346(1):161-9.
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26	Summary of information on human CYP enzymes: human P450 metabolism data. Drug Metab Rev. 2002 Feb-May;34(1-2):83-448.
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37	Nicotine and 4-(methylnitrosamino)-1-(3-pyridyl)-butanone metabolism by cytochrome P450 2B6. Drug Metab Dispos. 2005 Dec;33(12):1760-4.
38	PharmGKB summary: phenytoin pathway. Pharmacogenet Genomics. 2012 Jun;22(6):466-70.
39	Application of the relative activity factor approach in scaling from heterologously expressed cytochromes p450 to human liver microsomes: studies on amitriptyline as a model substrate. J Pharmacol Exp Ther. 2001 Apr;297(1):326-37.
40	High-dose rabeprazole/amoxicillin therapy as the second-line regimen after failure to eradicate H. pylori by triple therapy with the usual doses of a proton pump inhibitor, clarithromycin and amoxicillin. Hepatogastroenterology. 2003 Nov-Dec;50(54):2274-8.
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43	Cytochromes of the P450 2C subfamily are the major enzymes involved in the O-demethylation of verapamil in humans. Naunyn Schmiedebergs Arch Pharmacol. 1995 Dec;353(1):116-21.
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