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

General Information of Drug (ID: DMUHJ2C)

• Drug Name: MDL-28163 Drug Info
• Synonyms: MDL-28163; CHEMBL95051; SCHEMBL9196398; DIPBPGRFGZKMEF-UHFFFAOYSA-N; BDBM50175511; 1-(4-Fluorobenzyl)-2-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidinylcarbonyl]-1H-benzimidazole; [1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl][1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]methanone

Indication

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

• Cross-matching ID:
  PubChem CID: 10917690
  CAS Number: CAS 124461-07-0
  TTD Drug ID: DMUHJ2C

Molecule-Related Drug Atlas

Drug(s) Targeting Substance-P receptor (TACR1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Aprepitant	DM053KT	Depression	6A70-6A7Z	Approved	[2]
Selegiline	DM6034S	Major depressive disorder	6A70.3	Approved	[3]
Rolapitant	DM8XP26	Chemotherapy-induced nausea	MD90	Approved	[4]
Netupitant	DMEKAYI	Chemotherapy-induced nausea	MD90	Phase 3	[4]
Serlopitant	DM5VH6U	Prurigo nodularis	EC91.0	Phase 3	[5]
LY-686017	DM7WORZ	Atopic dermatitis	EA80	Phase 3	[6]
Elinzanetant	DMC6EFI	Hot flushes	GA30	Phase 3	[7]
CP-122721	DMSWLM5	Major depressive disorder	6A70.3	Phase 2	[8]
FR139317	DMEL5SV	Hypertension	BA00-BA04	Phase 2	[3]
VOFOPITANT HYDROCHLORIDE	DMQMYP5	Vomiting	MD90	Phase 2	[9]

Drug(s) Targeting Histamine H1 receptor (H1R)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Ergotidine	DM78IME	Osteoarthritis	FA00-FA05	Approved	[10]
Loratadine	DMF3AN7	Allergy	4A80-4A85	Approved	[11]
Azelastine	DMXTMBJ	Allergic conjunctivitis	9A60.02	Approved	[12]
Fexofenadine	DM17ONX	Allergic rhinitis	CA08.0	Approved	[13]
Cinnarizine	DM7U5QJ	Meniere disease	AB31.0	Approved	[14]
Diphenhydramine	DMKQTBA	Hyperemesis gravidarum		Approved	[12]
Doxepin	DMPI98T	Anxiety		Approved	[15]
Chlorpheniramine	DM5URA2	Allergic rhinitis	CA08.0	Approved	[12]
Epinastine	DMX0K3Q	Allergic conjunctivitis	9A60.02	Approved	[16]
Desloratadine	DM56YN7	Allergic rhinitis	CA08.0	Approved	[17]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histamine H1 receptor (H1R)	TTTIBOJ	HRH1_HUMAN	Inhibitor	[1]
Substance-P receptor (TACR1)	TTZPO1L	NK1R_HUMAN	Inhibitor	[1]

References

• [1] Designed multiple ligands. An emerging drug discovery paradigm. J Med Chem. 2005 Oct 20;48(21):6523-43.
• [2] Potent, brain-penetrant, hydroisoindoline-based human neurokinin-1 receptor antagonists. J Med Chem. 2009 May 14;52(9):3039-46.
• [3] Clinical pipeline report, company report or official report of GlaxoSmithKline (2009).
• [4] Netupitant and palonosetron trigger NK1 receptor internalization in NG108-15 cells. Exp Brain Res. 2014 Aug;232(8):2637-44.
• [5] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [6] Stress-related neuropeptides and alcoholism: CRH, NPY and beyond. Alcohol. 2009 November; 43(7): 491-498.
• [7] Elinzanetant (NT-814), a Neurokinin 1,3 Receptor Antagonist, Reduces Estradiol and Progesterone in Healthy Women. J Clin Endocrinol Metab. 2021 Jul 13;106(8):e3221-e3234.
• [8] A review of drug options in age-related macular degeneration therapy and potential new agents. Expert Opin Pharmacother. 2006 Dec;7(17):2355-68.
• [9] Efficacy and safety of casopitant mesylate, a neurokinin 1 (NK1)-receptor antagonist, in prevention of chemotherapy-induced nausea and vomiting in patients receiving cisplatin-based highly emetogenicchemotherapy: a randomised, double-blind, placebo-controlled trial. Lancet Oncol. 2009 Jun;10(6):549-58.
• [10] Cloning and pharmacological characterization of a fourth histamine receptor (H(4)) expressed in bone marrow. Mol Pharmacol. 2001 Mar;59(3):420-6.
• [11] Clinical research of Ibudilast on treating the steroid resistant allergic rhinitis. Lin Chung Er Bi Yan Hou Tou Jing Wai Ke Za Zhi. 2009 Jan;23(2):63-6.
• [12] Intact cell binding for in vitro prediction of sedative and non-sedative histamine H1-receptor antagonists based on receptor internalization. J Pharmacol Sci. 2008 May;107(1):66-79.
• [13] Update on prescription and over-the-counter histamine inverse agonists in rhinitis therapy. Curr Allergy Asthma Rep. 2009 Mar;9(2):140-8.
• [14] Central effects of cinnarizine: restricted use in aircrew. Aviat Space Environ Med. 2002 Jun;73(6):570-4.
• [15] Novel therapeutic usage of low-dose doxepin hydrochloride. Expert Opin Investig Drugs. 2007 Aug;16(8):1295-305.
• [16] Influence of epinastine hydrochloride, an H1-receptor antagonist, on the function of mite allergen-pulsed murine bone marrow-derived dendritic cell... Mediators Inflamm. 2009;2009:738038.
• [17] Examining the tolerability of the non-sedating antihistamine desloratadine: a prescription-event monitoring study in England. Drug Saf. 2009;32(2):169-79.