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

General Information of Drug (ID: DM3FH02)

• Drug Name: Ethyl 1-[(1H-benzimidazol-2(3H)one-5-yl)sulfonyl]-1H-pyrrole-2-carboxylate Drug Info
• Synonyms: 2-(Morpholin-4-yl)-benzo[h]chromen-4-one; 154447-35-5; NU7026; NU 7026; DNA-PK Inhibitor II; NU-7026; 2-morpholino-4H-benzo[h]chromen-4-one; LY293646; LY-293646; 2-(4-Morpholinyl)-4H-naphthol[1,2-b]pyran-4-one; 2-(4-morpholinyl)-4H-naphtho[1,2-b]pyran-4-one; CHEMBL104468; AK186905; DNA-Dependent Protein Kinase Inhibitor II; 2-morpholin-4-ylbenzo[h]chromen-4-one; SCHEMBL610237; ZINC9230; GTPL5959; KS-00000XHI; CTK0E7833; CHEBI:92165; DTXSID10432010; AOB2835; MolPort-009-019-548; HMS3229C11; EX-A1100; BCP04736; IN1364; s2893

Indication

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

• Cross-matching ID:
  PubChem CID: 9860529
  ChEBI ID: CHEBI:92165
  CAS Number: CAS 154447-35-5
  TTD Drug ID: DM3FH02

Molecule-Related Drug Atlas

Drug(s) Targeting Human immunodeficiency virus Reverse transcriptase (HIV RT)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Zidovudine	DM4KI7O	Human immunodeficiency virus infection	1C62	Approved	[5]
Nevirapine	DM6HX9B	Human immunodeficiency virus infection	1C62	Approved	[6]
Zalcitabine	DMH7MUV	Human immunodeficiency virus infection	1C62	Approved	[7]
Tenofovir	DM1IS6U	Chronic hepatitis B virus infection		Approved	[5]
Lamivudine	DMI347A	Chronic HBV infection	1E51.0Z	Approved	[8]
Abacavir	DMMN36E	Human immunodeficiency virus infection	1C62	Approved	[9]
Delavirdine	DM3NF5G	Human immunodeficiency virus infection	1C62	Approved	[8]
Efavirenz	DMC0GSJ	Human immunodeficiency virus infection	1C62	Approved	[8]
Rilpivirine	DMJ0QOW	Human immunodeficiency virus infection	1C62	Approved	[10]
Etravirine	DMGV8QU	Human immunodeficiency virus-1 infection	1C62	Approved	[11]

Drug(s) Targeting PI3-kinase delta (PIK3CD)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
BAY 80-6946	DMLOS5R	Follicular lymphoma	2A80	Approved	[12]
Idelalisib	DM602WT	Chronic lymphocytic leukaemia	2A82.0	Approved	[13]
Umbralisib	DMYRBO1	Follicular lymphoma	2A80	Approved	[14]
IPI-145	DMWA24P	Follicular lymphoma	2A80	Approved	[15]
Leniolisib	DMWAD93	Stomach cancer	2B72	Approved	[16]
Buparlisib	DM1WEHC	Breast cancer	2C60-2C65	Phase 3	[17]
INCB50465	DMZJP2T	Diffuse large B-cell lymphoma	2A81	Phase 2	[18]
ME-401	DMK0UOY	Follicular lymphoma	2A80	Phase 2	[18]
RP6530	DMYILGK	Chronic lymphocytic leukaemia	2A82.0	Phase 2	[18]
Parsaclisib	DMYBIFS	Follicular lymphoma	2A80	Phase 2	[19]

Drug(s) Targeting Serine/threonine-protein kinase mTOR (mTOR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Sirolimus	DMGW1ID	Advanced cancer	2A00-2F9Z	Approved	[20]
Temsirolimus	DMS104F	Renal cell carcinoma	2C90	Approved	[21]
PF-04449913	DMSB068	Chronic myelomonocytic leukaemia	2A40	Approved	[22]
Everolimus	DM8X2EH	Advanced cancer	2A00-2F9Z	Approved	[23]
Novolimus	DM6ZPLQ	Artery stenosis	BD52	Approved	[24]
Zotarolimus	DMRMCXW	Solid tumour/cancer	2A00-2F9Z	Approved	[25]
Ridaforolimus	DMLHEU7	Sarcoma	2A60-2C35	Phase 3	[26]
AZD2014	DMOEARH	Solid tumour/cancer	2A00-2F9Z	Phase 2	[27]
MM-141	DM2RJ4D	Pancreatic cancer	2C10	Phase 2	[18]
PQR309	DMMCYZ8	Squamous head and neck cell carcinom	2D60.0	Phase 2	[24]

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	[18]
AZD7648	DMD9Y5T	Solid tumour/cancer	2A00-2F9Z	Phase 1/2	[28]
M9831	DM59TI2	Solid tumour/cancer	2A00-2F9Z	Phase 1	[18]
PP121	DMU8KTO	Discovery agent	N.A.	Investigative	[29]
LY-292223	DML36ZE	Discovery agent	N.A.	Investigative	[30]
PIK-75	DM9BQTX	Discovery agent	N.A.	Investigative	[31]
KU-0060648	DMQWS6U	Discovery agent	N.A.	Investigative	[32]
ALPHA-NAPHTHOFLAVONE	DMELOIQ	Discovery agent	N.A.	Investigative	[4]
2-Morpholin-4-yl-pyrimido[2,1-a]isoquinolin-4-one	DM79ZOV	Discovery agent	N.A.	Investigative	[4]
2-(2-Methyl-morpholin-4-yl)-benzo[h]chromen-4-one	DMAHZR9	Discovery agent	N.A.	Investigative	[30]

Drug(s) Targeting PI3K p110 beta messenger RNA (PIK3CB mRNA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
LY-292223	DML36ZE	Discovery agent	N.A.	Investigative	[3]
3-(4-morpholinothieno[3,2-d]pyrimidin-2-yl)phenol	DM54MDH	Discovery agent	N.A.	Investigative	[33]
ISIS 32014	DMF5SK8	Discovery agent	N.A.	Investigative	[34]
ISIS 32024	DMPKGIU	Discovery agent	N.A.	Investigative	[34]
ISIS 32035	DM47B2O	Discovery agent	N.A.	Investigative	[34]
ISIS 32000	DM0O9WM	Discovery agent	N.A.	Investigative	[34]
ISIS 32021	DMISB5V	Discovery agent	N.A.	Investigative	[34]
ISIS 32003	DM7EVQX	Discovery agent	N.A.	Investigative	[34]
ISIS 32028	DMATWDO	Discovery agent	N.A.	Investigative	[34]
ISIS 32039	DMY1R0Q	Discovery agent	N.A.	Investigative	[34]

Drug(s) Targeting PI3-kinase gamma (PIK3CG)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
BAY 80-6946	DMLOS5R	Follicular lymphoma	2A80	Approved	[35]
IPI-145	DMWA24P	Follicular lymphoma	2A80	Approved	[15]
Buparlisib	DM1WEHC	Breast cancer	2C60-2C65	Phase 3	[17]
Enzastaurin	DM5H0R9	Diffuse large B-cell lymphoma	2A81	Phase 3	[18]
Rigosertib	DMOSTXF	Myelodysplastic syndrome	2A37	Phase 3	[36]
GDC-0032	DMT4QHD	Breast cancer	2C60-2C65	Phase 3	[18]
PQR309	DMMCYZ8	Squamous head and neck cell carcinom	2D60.0	Phase 2	[37]
SAR245409	DMQM7IL	Solid tumour/cancer	2A00-2F9Z	Phase 2	[38]
XL147	DMML7BE	Solid tumour/cancer	2A00-2F9Z	Phase 2	[38]
SF1126	DML10K3	Head and neck cancer	2D42	Phase 2	[39]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
DNA-dependent protein kinase catalytic (PRKDC)	TTK3PY9	PRKDC_HUMAN	Inhibitor	[2]
Human immunodeficiency virus Reverse transcriptase (HIV RT)	TT84ETX	POL_HV1B1	Inhibitor	[1]
PI3-kinase delta (PIK3CD)	TTGBPJE	PK3CD_HUMAN	Inhibitor	[3]
PI3-kinase gamma (PIK3CG)	TTHBTOP	PK3CG_HUMAN	Inhibitor	[3]
PI3K p110 beta messenger RNA (PIK3CB mRNA)	TT9H4P3	PK3CB_HUMAN	Inhibitor	[3]
Serine/threonine-protein kinase mTOR (mTOR)	TTCJG29	MTOR_HUMAN	Inhibitor	[4]

References

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• [13] 2014 FDA drug approvals. Nat Rev Drug Discov. 2015 Feb;14(2):77-81.
• [14] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2021
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• [16] Effective "activated PI3K syndrome"-targeted therapy with the PI3K inhibitor leniolisib. Blood. 2017 Nov 23;130(21):2307-2316.
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• [22] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
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• [25] Natural products to drugs: natural product-derived compounds in clinical trials. Nat Prod Rep. 2008 Jun;25(3):475-516.
• [26] A novel c-Met inhibitor, MK8033, synergizes with carboplatin plus paclitaxel to inhibit ovarian cancer cell growth. Oncol Rep. 2013 May;29(5):2011-8.
• [27] Dramatic suppression of colorectal cancer cell growth by the dual mTORC1 and mTORC2 inhibitor AZD-2014. Biochem Biophys Res Commun. 2014 Jan 10;443(2):406-12.
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• [29] Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases. Nat Chem Biol. 2008 Nov;4(11):691-9.
• [30] 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.
• [31] A pharmacological map of the PI3-K family defines a role for p110alpha in insulin signaling. Cell. 2006 May 19;125(4):733-47.
• [32] 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.
• [33] Synthesis and biological evaluation of sulfonylhydrazone-substituted imidazo[1,2-a]pyridines as novel PI3 kinase p110alpha inhibitors. Bioorg Med Chem. 2007 Sep 1;15(17):5837-44.
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