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

General Information of Drug (ID: DMVLW6R)

• Drug Name: IMPERATORIN Drug Info
• Synonyms: IMPERATORIN; 482-44-0; Ammidin; Marmelosin; Pentosalen; 8-Isoamylenoxypsoralen; 8-Isopentenyloxypsoralene; Marmelide; NSC 402949; CCRIS 4346; UNII-K713N25C78; 9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one; HSDB 3497; EINECS 207-581-1; 9-(3-Methylbut-2-enyloxy)furo(3,2-g)chromen-7-one; AI3-61725; CHEBI:5885; CHEMBL453805; OLOOJGVNMBJLLR-UHFFFAOYSA-N; 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(3-methyl-2-butenyl)oxy]-; 9-(3-Methylbut-2-enyloxy)furo[3,2-g]chromen-7-one; K713N25C78

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Cross-matching ID:
  PubChem CID: 10212
  ChEBI ID: CHEBI:5885
  CAS Number: CAS 482-44-0
  TTD Drug ID: DMVLW6R

Molecule-Related Drug Atlas

Drug(s) Targeting 5-HT 7 receptor (HTR7)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
RP5063	DMKUE8O	Schizophrenia	6A20	Phase 2	[3]
JNJ-18038683	DMV1T59	Major depressive disorder	6A70.3	Phase 2	[4]
AVN-101	DMOGFNI	Cognitive impairment	6D71	Phase 2	[5]
ATI-9242	DM6GKMU	Schizophrenia	6A20	Phase 1	[6]
PMID30124346-Compound-34TABLE4	DM2G3VE	Attention deficit hyperactivity disorder	6A05.Z	Patented	[7]
PMID30124346-Compound-13TABLE4	DMHTJVA	Attention deficit hyperactivity disorder	6A05.Z	Patented	[7]
Carbamide derivative 2	DMW5GI3	N. A.	N. A.	Patented	[8]
4-oxadiazole derivative 1	DMWFHKR	N. A.	N. A.	Patented	[8]
SB-269970	DM8WTGA	Sleep-wake disorder	7A00-7B2Z	Terminated	[9]
4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one	DMM9X0G	Discovery agent	N.A.	Investigative	[10]

Drug(s) Affected By Cytochrome P450 1B1 (CYP1B1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Flutamide	DMK0O7U	Prostate cancer	2C82.0	Approved	[11]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[12]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[13]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[14]
Estrone	DM5T6US	Acne vulgaris	ED80	Approved	[15]
Melatonin	DMKWFBT	Depression	6A70-6A7Z	Approved	[16]
Vitamin A	DMJ2AH4	Night blindness	9D45	Approved	[17]
Amodiaquine	DME4RA8	Malaria	1F40-1F45	Approved	[18]
Daunorubicin	DMQUSBT	Acute monocytic leukemia		Approved	[19]
Pantothenic acid	DM091H2	Vitamin deficiency	5B55-5B71	Approved	[20]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 7 receptor (HTR7)	TTO9X1H	5HT7R_HUMAN	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Cytochrome P450 1B1 (CYP1B1)	OTYXFLSD	CP1B1_HUMAN	Gene/Protein Processing	[2]

References

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• [2] Coumarins are competitive inhibitors of cytochrome P450 1B1, with equal potency for allelic variants. Pharmacogenet Genomics. 2005 Mar;15(3):183-8. doi: 10.1097/01213011-200503000-00007.
• [3] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [4] Selective pharmacological blockade of the 5-HT7 receptor attenuates light and 8-OH-DPAT induced phase shifts of mouse circadian wheel running activity. Front Behav Neurosci. 2015 Jan 15;8:453.
• [5] AVN-101: A Multi-Target Drug Candidate for the Treatment of CNS Disorders. J Alzheimers Dis. 2016 May 25;53(2):583-620.
• [6] Pharmacological characteristics of ATI-9242, a Novel Atypical Antipsychotic. FASEB J, April, 2010, 24(Meeting Abstract Supplement),773.12.
• [7] 5-HT1A receptor ligands and their therapeutic applications: review of new patents.Expert Opin Ther Pat. 2018 Sep;28(9):679-689.
• [8] Acyltransferase inhibitors: a patent review (2010-present).Expert Opin Ther Pat. 2015 Feb;25(2):145-58.
• [9] [(3)H]-SB-269970--A selective antagonist radioligand for 5-HT(7) receptors. Br J Pharmacol. 2000 May;130(2):409-17.
• [10] Discovery of N-{1-[3-(3-oxo-2,3-dihydrobenzo[1,4]oxazin-4-yl)propyl]piperidin-4-yl}-2-phenylacetamide (Lu AE51090): an allosteric muscarinic M1 rec... J Med Chem. 2010 Sep 9;53(17):6386-97.
• [11] Association of CYP1A1 and CYP1B1 inhibition in in vitro assays with drug-induced liver injury. J Toxicol Sci. 2021;46(4):167-176. doi: 10.2131/jts.46.167.
• [12] Gene expression after treatment with hydrogen peroxide, menadione, or t-butyl hydroperoxide in breast cancer cells. Cancer Res. 2002 Nov 1;62(21):6246-54.
• [13] Convergent transcriptional profiles induced by endogenous estrogen and distinct xenoestrogens in breast cancer cells. Carcinogenesis. 2006 Aug;27(8):1567-78.
• [14] Gene expression in endometrial cancer cells (Ishikawa) after short time high dose exposure to progesterone. Steroids. 2008 Jan;73(1):116-28.
• [15] In vitro aromatic bioactivation of the weak estrogen E(2)alpha and genesis of DNA adducts. Steroids. 2005 Mar;70(3):161-72. doi: 10.1016/j.steroids.2004.11.004.
• [16] Metabolism of melatonin by human cytochromes p450. Drug Metab Dispos. 2005 Apr;33(4):489-94.
• [17] Metabolism of retinoids and arachidonic acid by human and mouse cytochrome P450 1b1. Drug Metab Dispos. 2004 Aug;32(8):840-7.
• [18] Apoptosis contributes to the cytotoxicity induced by amodiaquine and its major metabolite N-desethylamodiaquine in hepatic cells. Toxicol In Vitro. 2020 Feb;62:104669. doi: 10.1016/j.tiv.2019.104669. Epub 2019 Oct 16.
• [19] Genetic variants contributing to daunorubicin-induced cytotoxicity. Cancer Res. 2008 May 1;68(9):3161-8. doi: 10.1158/0008-5472.CAN-07-6381.
• [20] Calcium pantothenate modulates gene expression in proliferating human dermal fibroblasts. Exp Dermatol. 2009 Nov;18(11):969-78. doi: 10.1111/j.1600-0625.2009.00884.x. Epub 2009 Apr 8.