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

General Information of Drug (ID: DMLKFZC)

• Drug Name: CL-387785 Drug Info
• Synonyms: cl-387785; 194423-06-8; EKI-785; CL-387785 (EKI-785); CL-387,785; UNII-B4W27J1Z8B; CL-387785(EKI785; WAY-EKI 785); EKB-785; CHEMBL91867; B4W27J1Z8B; N-[4-[(3-Bromophenyl)amino]-6-quinazolinyl]-2-butynamide; N-(4-((3-bromophenyl)amino)quinazolin-6-yl)but-2-ynamide; CHEBI:90180; C18H13BrN4O; N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}but-2-ynamide; N-[4-[(3-Bromophenyl)amino]quinazolin-6-yl]but-2-ynamide; N-[4-[(3-bromophenyl)amino]-6-quinazolinyl)-2-butynamide; N-{4-[(3-bromophenyl)amino]-6-quinazolinyl}-2-butynamide

Indication

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

• Cross-matching ID:
  PubChem CID: 2776
  ChEBI ID: CHEBI:90180
  CAS Number: CAS 194423-06-8
  TTD Drug ID: DMLKFZC

Molecule-Related Drug Atlas

Drug(s) Targeting HER4 messenger RNA (ERBB4 mRNA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
ISIS 19657	DMGIMH8	Discovery agent	N.A.	Investigative	[3]
ISIS 19650	DMCZLK1	Discovery agent	N.A.	Investigative	[3]
ISIS 19647	DMS5PZ0	Discovery agent	N.A.	Investigative	[3]
ISIS 19649	DMBEPGU	Discovery agent	N.A.	Investigative	[3]
ISIS 19677	DMN0DR2	Discovery agent	N.A.	Investigative	[3]
ISIS 19658	DM8WC4A	Discovery agent	N.A.	Investigative	[3]
ISIS 19659	DMQ5UA3	Discovery agent	N.A.	Investigative	[3]
ISIS 19651	DM8O7EM	Discovery agent	N.A.	Investigative	[3]
ISIS 19676	DMYEMST	Discovery agent	N.A.	Investigative	[3]
ISIS 19639	DMAW4OE	Discovery agent	N.A.	Investigative	[3]

Drug(s) Targeting Epidermal growth factor receptor (EGFR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Sorafenib	DMS8IFC	Hepatocellular carcinoma	2C12.02	Approved	[4]
Lapatinib	DM3BH1Y	Breast cancer	2C60-2C65	Approved	[5]
Gefitinib	DM15F0X	Solid tumour/cancer	2A00-2F9Z	Approved	[6]
Erlotinib	DMCMBHA	Non-small-cell lung cancer	2C25.Y	Approved	[7]
Vandetanib	DMRICNP	Solid tumour/cancer	2A00-2F9Z	Approved	[8]
Dacomitinib	DMOH8VY	Non-small-cell lung cancer	2C25.Y	Approved	[9]
BIBW 2992	DMTKD7Q	Non-small-cell lung cancer	2C25.Y	Approved	[10]
SKI-758	DMQ8E9R	Ischemia	8B10-8B11	Approved	[11]
Epidermal growth factor	DMVONE6	Vulnerary	ND56.Z	Approved	[9]
Merimepodib	DM0HS92	Breast cancer	2C60-2C65	Approved	[12]

Drug(s) Targeting ERBB2 messenger RNA (HER2 mRNA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
HKI-272	DM6QOVN	Breast cancer	2C60-2C65	Phase 3	[13]
BMS-690514	DMX302C	Chronic pain	MG30	Phase 2	[14]
3,4-di-(4-methoxyphenyl)-1H-pyrrole-2,5-dione	DMDO175	Discovery agent	N.A.	Investigative	[15]
3,4-diphenyl-1H-pyrrole-2,5-dione	DMPK6YT	Discovery agent	N.A.	Investigative	[15]
3-(4-methoxyphenyl)-4-phenyl-1H-pyrrole-2,5-dione	DMGC7RY	Discovery agent	N.A.	Investigative	[15]
BMS-536924	DMXJB4N	Discovery agent	N.A.	Investigative	[16]
3-(indole-3-yl)-4-phenyl-1H-pyrrole-2,5-dione	DM3EV9N	Discovery agent	N.A.	Investigative	[15]
PMID24915291C38	DMBXT9J	Discovery agent	N.A.	Investigative	[17]
Geldanamycin-estradiol hybrid	DMUSJ96	Discovery agent	N.A.	Investigative	[18]
HDS-029	DMLRUVA	Discovery agent	N.A.	Investigative	[1]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Epidermal growth factor receptor (EGFR)	TTGKNB4	EGFR_HUMAN	Inhibitor	[2]
ERBB2 messenger RNA (HER2 mRNA)	TTR5TV4	ERBB2_HUMAN	Inhibitor	[1]
HER4 messenger RNA (ERBB4 mRNA)	TTWALCO	ERBB4_HUMAN	Inhibitor	[1]

References

• [1] Tyrosine kinase inhibitors. 19. 6-Alkynamides of 4-anilinoquinazolines and 4-anilinopyrido[3,4-d]pyrimidines as irreversible inhibitors of the erbB... J Med Chem. 2006 Feb 23;49(4):1475-85.
• [2] Computational studies of epidermal growth factor receptor: docking reliability, three-dimensional quantitative structure-activity relationship anal... J Med Chem. 2009 Feb 26;52(4):964-75.
• [3] US patent application no. 6,255,111, Antisense modulation of Her-4 expression.
• [4] Nasopharyngeal carcinoma: Current treatment options and future directions. J Nasopharyng Carcinoma, 2014, 1(16): e16.
• [5] Triple negative breast cancer--current status and prospective targeted treatment based on HER1 (EGFR), TOP2A and C-MYC gene assessment. Biomed Pap Med Fac Univ Palacky Olomouc Czech Repub. 2009 Mar;153(1):13-7.
• [6] Gefitinib ('Iressa', ZD1839) and new epidermal growth factor receptor inhibitors. Br J Cancer. 2004 Feb 9;90(3):566-72.
• [7] Quantitative prediction of fold resistance for inhibitors of EGFR. Biochemistry. 2009 Sep 8;48(35):8435-48.
• [8] A comparison of physicochemical property profiles of marketed oral drugs and orally bioavailable anti-cancer protein kinase inhibitors in clinical development. Curr Top Med Chem. 2007;7(14):1408-22.
• [9] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 1797).
• [10] Boehringer Ingelheim. Product Development Pipeline. June 2 2009.
• [11] Synthesis and Src kinase inhibitory activity of a series of 4-[(2,4-dichloro-5-methoxyphenyl)amino]-7-furyl-3-quinolinecarbonitriles. J Med Chem. 2006 Dec 28;49(26):7868-76.
• [12] Clinical pipeline report, company report or official report of GlaxoSmithKline (2009).
• [13] Identification of genotype-correlated sensitivity to selective kinase inhibitors by using high-throughput tumor cell line profiling. Proc Natl Acad Sci U S A. 2007 Dec 11;104(50):19936-41.
• [14] Preclinical pharmacokinetics and in vitro metabolism of BMS-690514, a potent inhibitor of EGFR and VEGFR2. J Pharm Sci. 2010 Aug;99(8):3579-93.
• [15] Design, synthesis, and biological evaluation of 3,4-diarylmaleimides as angiogenesis inhibitors. J Med Chem. 2006 Feb 23;49(4):1271-81.
• [16] Discovery of a (1H-benzoimidazol-2-yl)-1H-pyridin-2-one (BMS-536924) inhibitor of insulin-like growth factor I receptor kinase with in vivo antitum... J Med Chem. 2005 Sep 8;48(18):5639-43.
• [17] Discovery of a series of 2,5-diaminopyrimidine covalent irreversible inhibitors of Bruton's tyrosine kinase with in vivo antitumor activity. J Med Chem. 2014 Jun 26;57(12):5112-28.
• [18] Synthesis and evaluation of geldanamycin-estradiol hybrids. Bioorg Med Chem Lett. 1999 May 3;9(9):1233-8.