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

General Information of Drug (ID: DM8PA3U)

• Drug Name: BMS-694153 Drug Info
• Synonyms: BMS-694153; UNII-69MB5VHL5J; 69MB5VHL5J; CHEMBL450668; (R)-4-(8-Fluoro-2-oxo-1,2-dihydroquinazolin-3(4H)-yl)-N-(3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-(piperidin-1-yl)piperidin-1-yl)propan-2-yl)piperidine-1-carboxamide; BMS 694153; 1050381-35-5; BDBM50268484; 1-Piperidinecarboxamide, N-((1R)-2-(1,4'-bipiperidin)-1'-yl-1-((7-methyl-1H-indazol-5-yl)methyl)-2-oxoethyl)-4-(8-fluoro-1,4-dihydro-2-oxo-3(2H)-quinazolinyl)-

Indication

Disease Entry	ICD 11	Status	REF
Migraine	8A80	Investigative	[1]

• Cross-matching ID:
  PubChem CID: 44593666
  CAS Number: CAS 1050381-35-5
  TTD Drug ID: DM8PA3U

Molecule-Related Drug Atlas

Drug(s) Targeting Calcitonin gene-related peptide receptor (CGRPR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Ubrogepant	DM749I3	Migraine	8A80	Approved	[2]
Fremanezumab	DMDZY54	Hyperprolactinaemia	5A60.1	Approved	[3]
Galcanezumab	DMIZ1E8	Hyperprolactinaemia	5A60.1	Approved	[3]
Erenumab	DMWMCN0	Hyperprolactinaemia	5A60.1	Approved	[3]
Rimegepant	DMHOAUG	Migraine	8A80	Approved	[4]
MK-3207	DM6OLGC	Migraine	8A80	Phase 2	[5]
AMG 334	DMI3WFG	Migraine	8A80	Phase 2	[6]
Telcagepant	DMFT5D6	Cluster headache	8A81.0	Phase 2	[7]
Olcegepant	DMVW5KR	Migraine	8A80	Phase 2	[8]
BI-44370	DMZR9OU	Migraine	8A80	Phase 2	[9]

Drug(s) Targeting Debrisoquine 4-hydroxylase (CYP2D6)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Glutethimide	DMGE0CW	Insomnia	7A00-7A0Z	Approved	[10]
ISOQUINE	DMR17YI	Malaria	1F40-1F45	Phase 1	[11]
ICI-199441	DMEWZ80	Discovery agent	N.A.	Investigative	[12]
ML-3163	DM3S5UC	Discovery agent	N.A.	Investigative	[13]
4-(Spiro[chromene-2,4'-piperidine]-4-yl)benzamide	DM0XDG6	Discovery agent	N.A.	Investigative	[14]
2-(2-(4-tert-Butylphenylthio)ethyl)-1H-imidazole	DMZVBPG	Discovery agent	N.A.	Investigative	[15]
4-[5-(3-Hydroxyphenyl)-3-thienyl]-2-methylphenol	DM7ERYJ	Discovery agent	N.A.	Investigative	[16]
2-Fluoro-4-[5-(3-hydroxyphenyl)-2-thienyl]phenol	DMUGAT8	Discovery agent	N.A.	Investigative	[16]
4-[5-(3-Hydroxyphenyl)-2-thienyl)-2-methyl]phenol	DMK4ICB	Discovery agent	N.A.	Investigative	[16]
4-[2-(4-Imidazol-1-yl-phenoxy)-ethyl]-morpholine	DM9UGO0	Discovery agent	N.A.	Investigative	[17]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Calcitonin gene-related peptide receptor (CGRPR)	TTY6O0Q	CALRL_HUMAN	Inhibitor	[1]
Debrisoquine 4-hydroxylase (CYP2D6)	TTVG215	CP2D6_HUMAN	Inhibitor	[1]

References

• [1] Discovery of (R)-4-(8-fluoro-2-oxo-1,2-dihydroquinazolin-3(4H)-yl)-N-(3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-(piperidin-1-yl)piperidin-1-yl)propan... J Med Chem. 2008 Aug 28;51(16):4858-61.
• [2] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2019
• [3] 2018 FDA drug approvals.Nat Rev Drug Discov. 2019 Feb;18(2):85-89.
• [4] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2020
• [5] Pharmacological properties of MK-3207, a potent and orally active calcitonin gene-related peptide receptor antagonist. J Pharmacol Exp Ther. 2010 Apr;333(1):152-60.
• [6] EHMTI-0315. AMG 334, the first potent and selective human monoclonal antibody antagonist against the CGRP receptor. J Headache Pain. 2014; 15(Suppl 1): G43.
• [7] CGRP antagonists: novel concept for treatment of migraine. Med Monatsschr Pharm. 2009 May;32(5):182-5.
• [8] Olcegepant, a non-peptide CGRP1 antagonist for migraine treatment. IDrugs. 2007 Aug;10(8):566-74.
• [9] BI 44370 TA, an oral CGRP antagonist for the treatment of acute migraine attacks: results from a phase II study. Cephalalgia. 2011 Apr;31(5):573-84.
• [10] A study of the effects of large doses of glutethimide that were used for self-poisoning during pregnancy on human fetuses. Toxicol Ind Health. 2008 Feb-Mar;24(1-2):69-78.
• [11] Candidate selection and preclinical evaluation of N-tert-butyl isoquine (GSK369796), an affordable and effective 4-aminoquinoline antimalarial for ... J Med Chem. 2009 Mar 12;52(5):1408-15.
• [12] Arylacetamide kappa opioid receptor agonists with reduced cytochrome P450 2D6 inhibitory activity. Bioorg Med Chem Lett. 2005 May 16;15(10):2647-52.
• [13] Novel substituted pyridinyl imidazoles as potent anticytokine agents with low activity against hepatic cytochrome P450 enzymes. J Med Chem. 2003 Jul 17;46(15):3230-44.
• [14] Spirocyclic delta opioid receptor agonists for the treatment of pain: discovery of N,N-diethyl-3-hydroxy-4-(spiro[chromene-2,4'-piperidine]-4-yl) b... J Med Chem. 2009 Sep 24;52(18):5685-702.
• [15] Role of hydrophobic substituents on the terminal nitrogen of histamine in receptor binding and agonist activity: development of an orally active hi... J Med Chem. 2010 May 13;53(9):3840-4.
• [16] New insights into the SAR and binding modes of bis(hydroxyphenyl)thiophenes and -benzenes: influence of additional substituents on 17beta-hydroxyst... J Med Chem. 2009 Nov 12;52(21):6724-43.
• [17] Imidazole derivatives as new potent and selective 20-HETE synthase inhibitors. Bioorg Med Chem Lett. 2004 Jan 19;14(2):333-6.