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

General Information of Drug (ID: DMM8Z3Q)

• Drug Name: Encequidar Drug Info
• Synonyms: 849675-66-7; HM-30181-A; HM-30181; HM30181; UNII-K4I4I996O4; K4I4I996O4; 849675-66-7 (free base); HM 30181A; N-(2-(2-(4-(2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)-2H-tetrazol-5-yl)-4,5-dimethoxyphenyl)-4-oxo-4H-chromene-2-carboxamide; HM30181A; Encequidar [USAN]; HM-30181A; Encequidar (USAN/INN); HM-30181 free base; CHEMBL4594298; SCHEMBL13822558; EX-A3429A; BCP25240; MFCD25976625; WHO 10861; ZINC68014383; CS-6194; DB14070; SB18921; 4-Oxo-4H-chromene-2-carboxylic acid (2-(2-4-(2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethyl)-phenyl-2H-tetrazol-5-yl)-4,5-dimethoxy-phenyl)-amide; AS-35283; HY-13646; D11782; Q27281950; 4-oxo-4H-chromen-2-carboxylic acid [2-(2-{4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethyl]-phenyl}-2H-tetrazol-5-yl)-4,5-dimethoxy-phenyl]-amide; 4H-1-Benzopyran-2-carboxamide, N-[2-[2-[4-[2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]phenyl]-2H-tetrazol-5-yl]-4,5-dimethoxyphenyl]-4-oxo-; N-(2-(2-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-yl)ethyl)phenyl)-2H-tetrazol-5-yl)-4,5-dimethoxyphenyl)-4-oxo-4H-chromene-2-carboxamide; N-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]tetrazol-5-yl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide

Indication

Disease Entry	ICD 11	Status	REF
Metastatic breast cancer	2C6Y	Phase 2	[1]

• Cross-matching ID:
  PubChem CID: 11399764
  CAS Number: CAS 849675-66-7
  TTD Drug ID: DMM8Z3Q

Molecule-Related Drug Atlas

Drug(s) Targeting Multidrug resistance protein 3 (ABCB4)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
LY335979	DM2KITF	Acute myeloid leukaemia	2A60	Discontinued in Phase 3	[3]
Dofequidar fumarate	DMWMHU7	Solid tumour/cancer	2A00-2F9Z	Discontinued in Phase 3	[4]
Dexniguldipine	DMLZIT2	Solid tumour/cancer	2A00-2F9Z	Discontinued in Phase 2	[5]
LANIQUIDAR	DM3YABD	Solid tumour/cancer	2A00-2F9Z	Discontinued in Phase 2	[6]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Multidrug resistance protein 3 (ABCB4)	TTJUXV6	MDR3_HUMAN	Inhibitor	[2]

References

• [1] ClinicalTrials.gov (NCT01042379) I-SPY TRIAL: Neoadjuvant and Personalized Adaptive Novel Agents to Treat Breast Cancer (I-SPY). U.S. National Institutes of Health.
• [2] Discovery of Encequidar, First-in-Class Intestine Specific P-glycoprotein Inhibitor. J Med Chem. 2021 Apr 8;64(7):3677-3693.
• [3] A Phase I trial of a potent P-glycoprotein inhibitor, zosuquidar trihydrochloride (LY335979), administered intravenously in combination with doxoru... Clin Cancer Res. 2004 May 15;10(10):3265-72.
• [4] Reversal of multidrug resistance by a novel quinoline derivative, MS-209. Cancer Chemother Pharmacol. 1995;35(4):271-7.
• [5] Mechanism of action of dexniguldipine-HCl (B8509-035), a new potent modulator of multidrug resistance. Biochem Pharmacol. 1995 Mar 1;49(5):603-9.
• [6] Evaluation of [11C]laniquidar as a tracer of P-glycoprotein: radiosynthesis and biodistribution in rats. Nucl Med Biol. 2009 Aug;36(6):643-9.