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

General Information of Drug (ID: DMWRVGE)

Drug Name

IC86621 Drug Info

Synonyms

DNA-PK Inhibitor III; 404009-40-1; IC86621; 1-(2-HYDROXY-4-MORPHOLINOPHENYL)ETHANONE; 1-(2-Hydroxy-4-morpholin-4-yl-phenyl)ethanone; CHEMBL1317546; Ethanone, 1-[2-hydroxy-4-(4-morpholinyl)phenyl]-; SCHEMBL600210; GTPL5960; CTK1D4579; CHEBI:95245; DTXSID40431950; MolPort-027-354-881; HMS3229C13; BCP08943; ZINC3817773; BDBM50398036; AR2783; 4512AH; IN1363; AKOS017560291; CCG-206744; NCGC00165807-01; AS-45440; IC 86621; RT-012395; 1-(2-hydroxy-4-morpholinophenyl)ethan-1-one; A-8048; 1-[2-hydroxy-4-(morpholin-4-yl)phenyl]ethan-1-one

Indication

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

Cross-matching ID

PubChem CID: 9859309
ChEBI ID: CHEBI:95245
CAS Number: CAS 404009-40-1
TTD Drug ID: DMWRVGE

Molecule-Related Drug Atlas

Molecule Type:

DTT

Drug Status:

Clinical Trial Drug(s)

Investigative Drug(s)

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Drug(s) Targeting DNA-dependent protein kinase catalytic (PRKDC)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
M3814	DMK2L38	Locally advanced rectal cancer	2B92	Phase 1/2	[3]
AZD7648	DMD9Y5T	Solid tumour/cancer	2A00-2F9Z	Phase 1/2	[4]
M9831	DM59TI2	Solid tumour/cancer	2A00-2F9Z	Phase 1	[3]
PP121	DMU8KTO	Discovery agent	N.A.	Investigative	[5]
LY-292223	DML36ZE	Discovery agent	N.A.	Investigative	[6]
Ethyl 1-[(1H-benzimidazol-2(3H)one-5-yl)sulfonyl]-1H-pyrrole-2-carboxylate	DM3FH02	Discovery agent	N.A.	Investigative	[7]
PIK-75	DM9BQTX	Discovery agent	N.A.	Investigative	[8]
KU-0060648	DMQWS6U	Discovery agent	N.A.	Investigative	[9]
Alpha-naphthoflavone	DMELOIQ	Discovery agent	N.A.	Investigative	[10]
2-Morpholin-4-yl-pyrimido[2,1-a]isoquinolin-4-one	DM79ZOV	Discovery agent	N.A.	Investigative	[10]
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Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

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Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
DNA-dependent protein kinase catalytic (PRKDC)	TTK3PY9	PRKDC_HUMAN	Inhibitor	[2]

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References

1	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. (Ligand id: 5960).
2	Modulation of DNA repair by pharmacological inhibitors of the PIKK protein kinase family. Bioorg Med Chem Lett. 2012 Sep 1;22(17):5352-9.
3	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
4	AZD7648 is a potent and selective DNA-PK inhibitor that enhances radiation, chemotherapy and olaparib activity. Nat Commun. 2019 Nov 7;10(1):5065.
5	Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases. Nat Chem Biol. 2008 Nov;4(11):691-9.
6	Identification of a highly potent and selective DNA-dependent protein kinase (DNA-PK) inhibitor (NU7441) by screening of chromenone libraries. Bioorg Med Chem Lett. 2004 Dec 20;14(24):6083-7.
7	Discovery of potent chromen-4-one inhibitors of the DNA-dependent protein kinase (DNA-PK) using a small-molecule library approach. J Med Chem. 2005 Dec 1;48(24):7829-46.
8	A pharmacological map of the PI3-K family defines a role for p110alpha in insulin signaling. Cell. 2006 May 19;125(4):733-47.
9	1-substituted (Dibenzo[b,d]thiophen-4-yl)-2-morpholino-4H-chromen-4-ones endowed with dual DNA-PK/PI3-K inhibitory activity. J Med Chem. 2013 Aug 22;56(16):6386-401.
10	Selective benzopyranone and pyrimido[2,1-a]isoquinolin-4-one inhibitors of DNA-dependent protein kinase: synthesis, structure-activity studies, and... J Med Chem. 2005 Jan 27;48(2):569-85.