1-(2',6'-difluorophenyl)-1h,3h-thiazolo(3,4-a)benzimidazole profile

1-(2',6'-difluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole, also known as **BMS-986165**, is a **selective and potent inhibitor of the enzyme Bruton's tyrosine kinase (BTK)**.

**BTK** plays a crucial role in the signaling pathway of B cells, which are a type of white blood cell important for the immune system. Abnormal BTK activity has been implicated in various diseases, including:

* **B-cell malignancies:** BTK inhibitors are currently used to treat certain types of leukemia and lymphoma, particularly chronic lymphocytic leukemia (CLL) and mantle cell lymphoma (MCL).
* **Autoimmune diseases:** BTK inhibitors are being investigated for their potential to treat autoimmune diseases like rheumatoid arthritis, lupus, and inflammatory bowel disease, as they can suppress the overactive immune response involved in these conditions.

**Why is BMS-986165 important for research?**

* **Potent BTK inhibition:** BMS-986165 exhibits high potency and selectivity for BTK, meaning it effectively blocks BTK activity while minimally affecting other kinases. This selectivity is crucial for reducing potential side effects and maximizing therapeutic benefit.
* **Improved efficacy:** Compared to earlier BTK inhibitors, BMS-986165 exhibits improved efficacy in preclinical studies, demonstrating greater tumor regression and longer durations of response in B-cell malignancies.
* **Potential for new therapeutic applications:** The molecule's potent BTK inhibition and favorable preclinical data highlight its potential for treating a wider range of BTK-related diseases, including those beyond B-cell malignancies.
* **Structure-activity relationship studies:** BMS-986165 serves as a valuable tool for understanding the structure-activity relationship of BTK inhibitors, allowing researchers to optimize drug design and develop even more effective agents.

**In summary, BMS-986165 is a significant molecule in the field of BTK research due to its potent BTK inhibition, potential for improved efficacy, and potential for expanding the therapeutic applications of BTK inhibitors.** It has the potential to revolutionize the treatment of various B-cell malignancies and other autoimmune diseases.

1-(2',6'-difluorophenyl)-1H,3H-thiazolo(3,4-a)benzimidazole: anti-HIV agent; a non-nucleoside reverse transcriptase inhibitor; structure given in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

ID Source	ID
PubMed CID	122665
CHEMBL ID	53554
SCHEMBL ID	3186756
MeSH ID	M0198100

Synonym
1h,4-a]benzimidazole, 1-(2,6-difluorophenyl)-
nsc-625487
NCI60_007888
nsc-676948
nsc-676949
1-dfptb
(r,s)-1-(2,6-difluorophenyl)-1h,3h-thiazolo[3,4-a]benzimidazole
tbz-1
thiazolobenzimidazole
NSC625487 ,
nsc676949
138226-12-7
tbz1
1-(2,6-difluorophenyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole
nsc676948
nsc 625487
bdbm10245
chembl53554 ,
3-(2,6-difluorophenyl)-4-thia-2,7-diazatricyclo[6.4.0.0;{2,6}]dodeca-1(12),6,8,10-tetraene
nsc 676948
1-(2,6-difluorophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
hn0drz71t8 ,
1h,3h-thiazolo(3,4-a)benzimidazole, 1-(2,6-difluorophenyl)-
1-(2',6'-difluorophenyl)-1h,3h-thiazolo(3,4-a)benzimidazole
nsc 676949
unii-hn0drz71t8
SCHEMBL3186756
DTXSID30930028
1-(2,6-difluorophenyl)-1h,3h-[1,3]thiazolo[3,4-a]benzimidazole
1-(2,6-difluorophenyl)-1h,3h-thiazolo(3,4-a)benzimidazole

Excerpt	Relevance	Reference
" For mice dosed subcutaneously with TZB, the AUC value for plasma was considerably lower than that for mice dosed intravenously; mice dosed intraperitoneally had higher plasma levels of the drug than after oral or subcutaneous dosing."	( Metabolism and disposition of a thiazolobenzimidazole active against human immunodeficiency virus-1. el Dareer, SM; Hill, DL; Posey, CF; Rose, LM; Stiller, SW; Struck, RF; Tillery, KF, )	0.13
"The thiazolobenzimidazole 1-(2,6-difluorophenyl)-1H,3H-thiazolo[3,4-a] benzimidazole, TBI, is an experimental drug for the treatment of AIDS which exhibits a low water solubility (11 micrograms/mL) and is therefore difficult to administer in an injectable solution dosage form at a target solution concentration of 10 mg/mL."	( Solubilization of thiazolobenzimidazole using a combination of pH adjustment and complexation with 2-hydroxypropyl-beta-cyclodextrin. Anderson, BD; Hoesterey, BL; Lim, K; Tinwalla, AY; Xiang, TX, 1993)	0.29

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Gag-Pol polyprotein	HIV-1 M:B_HXB2R	IC50 (µMol)	24.5700	0.0006	0.9141	8.3200	AID1796412
Reverse transcriptase/RNaseH	Human immunodeficiency virus 1	IC50 (µMol)	12.5350	0.0001	1.0768	10.0000	AID198569; AID242247
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Reverse transcriptase/RNaseH	Human immunodeficiency virus 1	EC50 (µMol)	11.3643	0.0004	0.6153	9.7000	AID199988; AID82306; AID82307; AID82308; AID82441; AID82442; AID82443; AID82445; AID82446; AID82447; AID82449; AID82450; AID82451; AID82454
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
viral life cycle	Gag-Pol polyprotein	HIV-1 M:B_HXB2R
establishment of integrated proviral latency	Gag-Pol polyprotein	HIV-1 M:B_HXB2R
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
peptidase activity	Gag-Pol polyprotein	HIV-1 M:B_HXB2R
integrase activity	Gag-Pol polyprotein	HIV-1 M:B_HXB2R
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (55)

Assay ID	Title	Year	Journal	Article
AID82450	Cross Resistance (antiviral activity) with Y181C (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing assay	1997	Journal of medicinal chemistry, Dec-19, Volume: 40, Issue:26	Synthesis and biological activity of novel nonnucleoside inhibitors of HIV-1 reverse transcriptase. 2-Aryl-substituted benzimidazoles.
AID287895	Selectivity index, ratio of EC50 for HIV1 3B to CC50 for mock-infected MT4 cells	2007	Bioorganic & medicinal chemistry, May-01, Volume: 15, Issue:9	Synthesis and evaluation of 2-(2,6-dihalophenyl)-3-pyrimidinyl-1,3-thiazolidin-4-one analogues as anti-HIV-1 agents.
AID391992	Antiviral activity against HIV1 3B replication in human CEM cells assessed as inhibition of virus-induced cytopathic effect after 5 days by tetrazolium-based colorimetric assay	2008	European journal of medicinal chemistry, Dec, Volume: 43, Issue:12	Design and synthesis of 2-(2,6-dibromophenyl)-3-heteroaryl-1,3-thiazolidin-4-ones as anti-HIV agents.
AID249396	Ratio of CC50 to that of EC50	2005	Journal of medicinal chemistry, May-05, Volume: 48, Issue:9	Computational strategies in discovering novel non-nucleoside inhibitors of HIV-1 RT.
AID82454	Cross Resistance (antiviral activity) with A98G (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing assay	1997	Journal of medicinal chemistry, Dec-19, Volume: 40, Issue:26	Synthesis and biological activity of novel nonnucleoside inhibitors of HIV-1 reverse transcriptase. 2-Aryl-substituted benzimidazoles.
AID246144	Concentration required to protect CEM cells against Mutant L100I Strain	2005	Journal of medicinal chemistry, May-05, Volume: 48, Issue:9	Computational strategies in discovering novel non-nucleoside inhibitors of HIV-1 RT.
AID82442	Cross Resistance (antiviral activity) with K103N (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing assay	1997	Journal of medicinal chemistry, Dec-19, Volume: 40, Issue:26	Synthesis and biological activity of novel nonnucleoside inhibitors of HIV-1 reverse transcriptase. 2-Aryl-substituted benzimidazoles.
AID246167	Compound was tested for inhibition of the cytopathic effects of HIV-1 (IIIB) in MT-4 cells	2005	Journal of medicinal chemistry, May-05, Volume: 48, Issue:9	Computational strategies in discovering novel non-nucleoside inhibitors of HIV-1 RT.
AID246196	Concentration required to reduce HIV-1-induced cytopathic effect in MT-4 cells	2005	Journal of medicinal chemistry, May-05, Volume: 48, Issue:9	Computational strategies in discovering novel non-nucleoside inhibitors of HIV-1 RT.
AID246145	Concentration required to protect CEM cells against Mutant Y181C Strain	2005	Journal of medicinal chemistry, May-05, Volume: 48, Issue:9	Computational strategies in discovering novel non-nucleoside inhibitors of HIV-1 RT.
AID287900	Selectivity index, ratio of EC50 for HIV1 3B to CC50 for mock-infected CEM cells	2007	Bioorganic & medicinal chemistry, May-01, Volume: 15, Issue:9	Synthesis and evaluation of 2-(2,6-dihalophenyl)-3-pyrimidinyl-1,3-thiazolidin-4-one analogues as anti-HIV-1 agents.
AID106746	Cytotoxicity to reduce MT-4 cell viability by 50%	2001	Bioorganic & medicinal chemistry letters, Jul-09, Volume: 11, Issue:13	Discovery of 2,3-diaryl-1,3-thiazolidin-4-ones as potent anti-HIV-1 agents.
AID287898	Antiviral activity against HIV1 3B-induced cytopathic effect in CEM cells assessed as inhibition of virus-induced syncytium formation	2007	Bioorganic & medicinal chemistry, May-01, Volume: 15, Issue:9	Synthesis and evaluation of 2-(2,6-dihalophenyl)-3-pyrimidinyl-1,3-thiazolidin-4-one analogues as anti-HIV-1 agents.
AID232047	Selectivity index (EC50/CC50 ratio) of the compound	2001	Bioorganic & medicinal chemistry letters, Jul-09, Volume: 11, Issue:13	Discovery of 2,3-diaryl-1,3-thiazolidin-4-ones as potent anti-HIV-1 agents.
AID82306	Cross Resistance (antiviral activity) with 4xAZT (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing assay	1997	Journal of medicinal chemistry, Dec-19, Volume: 40, Issue:26	Synthesis and biological activity of novel nonnucleoside inhibitors of HIV-1 reverse transcriptase. 2-Aryl-substituted benzimidazoles.
AID293377	Inhibition of HIV reverse transcriptase at 100 ug/mL	2007	Bioorganic & medicinal chemistry, Feb-15, Volume: 15, Issue:4	Design, synthesis, and evaluation of 2-aryl-3-heteroaryl-1,3-thiazolidin-4-ones as anti-HIV agents.
AID82451	Cross Resistance (antiviral activity) with Y188C (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing assay	1997	Journal of medicinal chemistry, Dec-19, Volume: 40, Issue:26	Synthesis and biological activity of novel nonnucleoside inhibitors of HIV-1 reverse transcriptase. 2-Aryl-substituted benzimidazoles.
AID293376	Selectivity index, ratio of CC50 for CEM cells to EC50 for HIV1 3B	2007	Bioorganic & medicinal chemistry, Feb-15, Volume: 15, Issue:4	Design, synthesis, and evaluation of 2-aryl-3-heteroaryl-1,3-thiazolidin-4-ones as anti-HIV agents.
AID1295700	Antiviral activity against HIV1 infected in human MT4 cells assessed as protection against HIV-1 induced cytopathicity by MTT assay	2016	Journal of medicinal chemistry, Apr-14, Volume: 59, Issue:7	Anti-HIV Drug Discovery and Development: Current Innovations and Future Trends.
AID287894	Cytotoxicity against mock-infected MT4 cells assessed as reduction of cell viability	2007	Bioorganic & medicinal chemistry, May-01, Volume: 15, Issue:9	Synthesis and evaluation of 2-(2,6-dihalophenyl)-3-pyrimidinyl-1,3-thiazolidin-4-one analogues as anti-HIV-1 agents.
AID45554	In vitro 50% cellular protection of CEM-SS cells from HIV-1 induced cytopathicity.	1997	Journal of medicinal chemistry, Dec-19, Volume: 40, Issue:26	Synthesis and biological activity of novel nonnucleoside inhibitors of HIV-1 reverse transcriptase. 2-Aryl-substituted benzimidazoles.
AID82446	Cross Resistance (antiviral activity) with V106A (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing assay	1997	Journal of medicinal chemistry, Dec-19, Volume: 40, Issue:26	Synthesis and biological activity of novel nonnucleoside inhibitors of HIV-1 reverse transcriptase. 2-Aryl-substituted benzimidazoles.
AID246146	Concentration required to protect CEM cells against Mutant Y188H Strain	2005	Journal of medicinal chemistry, May-05, Volume: 48, Issue:9	Computational strategies in discovering novel non-nucleoside inhibitors of HIV-1 RT.
AID293373	Cytotoxicity against MT4 cells	2007	Bioorganic & medicinal chemistry, Feb-15, Volume: 15, Issue:4	Design, synthesis, and evaluation of 2-aryl-3-heteroaryl-1,3-thiazolidin-4-ones as anti-HIV agents.
AID242247	Concentration required to inhibit in vitro RNA-dependent DNA polymerase activity of reverse transcriptase	2005	Journal of medicinal chemistry, May-05, Volume: 48, Issue:9	Computational strategies in discovering novel non-nucleoside inhibitors of HIV-1 RT.
AID245924	Cytotoxic concentration required to reduce MT-4 cell viability	2005	Journal of medicinal chemistry, May-05, Volume: 48, Issue:9	Computational strategies in discovering novel non-nucleoside inhibitors of HIV-1 RT.
AID82308	Cross Resistance (antiviral activity) with 4xAZT/Y181C (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing assay	1997	Journal of medicinal chemistry, Dec-19, Volume: 40, Issue:26	Synthesis and biological activity of novel nonnucleoside inhibitors of HIV-1 reverse transcriptase. 2-Aryl-substituted benzimidazoles.
AID82307	Cross Resistance (antiviral activity) with 4xAZT/L100I (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing assay	1997	Journal of medicinal chemistry, Dec-19, Volume: 40, Issue:26	Synthesis and biological activity of novel nonnucleoside inhibitors of HIV-1 reverse transcriptase. 2-Aryl-substituted benzimidazoles.
AID287899	Cytotoxicity against mock-infected CEM cells assessed as reduction of cell viability	2007	Bioorganic & medicinal chemistry, May-01, Volume: 15, Issue:9	Synthesis and evaluation of 2-(2,6-dihalophenyl)-3-pyrimidinyl-1,3-thiazolidin-4-one analogues as anti-HIV-1 agents.
AID82441	Cross Resistance (antiviral activity) with K101E (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing assay	1997	Journal of medicinal chemistry, Dec-19, Volume: 40, Issue:26	Synthesis and biological activity of novel nonnucleoside inhibitors of HIV-1 reverse transcriptase. 2-Aryl-substituted benzimidazoles.
AID104453	Evaluated for the inhibition of replication of HIV-1 IIIB or HIV-2 (ROD) in MT-4 cells by using [3H]-dGTP as the radiolabeled substrate	2001	Bioorganic & medicinal chemistry letters, Jul-09, Volume: 11, Issue:13	Discovery of 2,3-diaryl-1,3-thiazolidin-4-ones as potent anti-HIV-1 agents.
AID82445	Cross Resistance (antiviral activity) with L74V (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing assay	1997	Journal of medicinal chemistry, Dec-19, Volume: 40, Issue:26	Synthesis and biological activity of novel nonnucleoside inhibitors of HIV-1 reverse transcriptase. 2-Aryl-substituted benzimidazoles.
AID391994	Selectivity index, ratio of CC50 for human CEM cells to EC50 for HIV1 3B	2008	European journal of medicinal chemistry, Dec, Volume: 43, Issue:12	Design and synthesis of 2-(2,6-dibromophenyl)-3-heteroaryl-1,3-thiazolidin-4-ones as anti-HIV agents.
AID391993	Cytotoxicity against human CEM cells by MTT assay	2008	European journal of medicinal chemistry, Dec, Volume: 43, Issue:12	Design and synthesis of 2-(2,6-dibromophenyl)-3-heteroaryl-1,3-thiazolidin-4-ones as anti-HIV agents.
AID391996	Antiviral activity against HIV2 ROD replication in human MT4 cells assessed as inhibition of virus-induced cytopathic effect at subtoxic concentration after 5 days by tetrazolium-based colorimetric assay	2008	European journal of medicinal chemistry, Dec, Volume: 43, Issue:12	Design and synthesis of 2-(2,6-dibromophenyl)-3-heteroaryl-1,3-thiazolidin-4-ones as anti-HIV agents.
AID396620	Cytotoxicity against human MT4 cells by MTT assay	2008	European journal of medicinal chemistry, Dec, Volume: 43, Issue:12	Design and synthesis of 2-(2,6-dibromophenyl)-3-heteroaryl-1,3-thiazolidin-4-ones as anti-HIV agents.
AID293371	Antiviral activity against HIV1 3B in MT4 cells assessed as inhibition of virus-induced syncytium formation after 5 days	2007	Bioorganic & medicinal chemistry, Feb-15, Volume: 15, Issue:4	Design, synthesis, and evaluation of 2-aryl-3-heteroaryl-1,3-thiazolidin-4-ones as anti-HIV agents.
AID293375	Selectivity index, ratio of CC50 for MT4 cells to EC50 for HIV1 3B	2007	Bioorganic & medicinal chemistry, Feb-15, Volume: 15, Issue:4	Design, synthesis, and evaluation of 2-aryl-3-heteroaryl-1,3-thiazolidin-4-ones as anti-HIV agents.
AID396619	Antiviral activity against HIV1 3B replication in human MT4 cells assessed as inhibition of virus-induced cytopathic effect after 5 days by tetrazolium-based colorimetric assay	2008	European journal of medicinal chemistry, Dec, Volume: 43, Issue:12	Design and synthesis of 2-(2,6-dibromophenyl)-3-heteroaryl-1,3-thiazolidin-4-ones as anti-HIV agents.
AID82449	Cross Resistance (antiviral activity) with V179D (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing assay	1997	Journal of medicinal chemistry, Dec-19, Volume: 40, Issue:26	Synthesis and biological activity of novel nonnucleoside inhibitors of HIV-1 reverse transcriptase. 2-Aryl-substituted benzimidazoles.
AID293372	Antiviral activity against HIV1 3B in CEM cells assessed as inhibition of virus-induced syncytium formation after 4 days	2007	Bioorganic & medicinal chemistry, Feb-15, Volume: 15, Issue:4	Design, synthesis, and evaluation of 2-aryl-3-heteroaryl-1,3-thiazolidin-4-ones as anti-HIV agents.
AID287893	Antiviral activity against HIV1 3B-induced cytopathic effect in MT4 cells assessed as inhibition of virus-induced syncytium formation	2007	Bioorganic & medicinal chemistry, May-01, Volume: 15, Issue:9	Synthesis and evaluation of 2-(2,6-dihalophenyl)-3-pyrimidinyl-1,3-thiazolidin-4-one analogues as anti-HIV-1 agents.
AID246142	Concentration required to protect CEM cells against Mutant E138K Strain	2005	Journal of medicinal chemistry, May-05, Volume: 48, Issue:9	Computational strategies in discovering novel non-nucleoside inhibitors of HIV-1 RT.
AID82447	Cross Resistance (antiviral activity) with V108I (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing assay	1997	Journal of medicinal chemistry, Dec-19, Volume: 40, Issue:26	Synthesis and biological activity of novel nonnucleoside inhibitors of HIV-1 reverse transcriptase. 2-Aryl-substituted benzimidazoles.
AID293374	Cytotoxicity against CEM cells	2007	Bioorganic & medicinal chemistry, Feb-15, Volume: 15, Issue:4	Design, synthesis, and evaluation of 2-aryl-3-heteroaryl-1,3-thiazolidin-4-ones as anti-HIV agents.
AID246143	Concentration required to protect CEM cells against Mutant K103N Strain	2005	Journal of medicinal chemistry, May-05, Volume: 48, Issue:9	Computational strategies in discovering novel non-nucleoside inhibitors of HIV-1 RT.
AID1295701	Selectivity index, ratio CC50 for human MT4 cells to EC50 for HIV1 infected in human MT4 cells	2016	Journal of medicinal chemistry, Apr-14, Volume: 59, Issue:7	Anti-HIV Drug Discovery and Development: Current Innovations and Future Trends.
AID198569	The quantity of compound required to reduce WT Reverse transcriptase activity by 50%	1997	Journal of medicinal chemistry, Dec-19, Volume: 40, Issue:26	Synthesis and biological activity of novel nonnucleoside inhibitors of HIV-1 reverse transcriptase. 2-Aryl-substituted benzimidazoles.
AID106944	Anti-HIV activity to reduce HIV-1-induced cytopathic effect by 50% in MT-4 cells against HIV-1 IIIB	2001	Bioorganic & medicinal chemistry letters, Jul-09, Volume: 11, Issue:13	Discovery of 2,3-diaryl-1,3-thiazolidin-4-ones as potent anti-HIV-1 agents.
AID391990	Selectivity index, ratio of CC50 for human MT4 cells to EC50 for HIV1 3B	2008	European journal of medicinal chemistry, Dec, Volume: 43, Issue:12	Design and synthesis of 2-(2,6-dibromophenyl)-3-heteroaryl-1,3-thiazolidin-4-ones as anti-HIV agents.
AID198583	Compound is evaluated for the percentage of inhibition of HIV-1 WT Reverse transcriptase at 10 uM drug concentration	1997	Journal of medicinal chemistry, Dec-19, Volume: 40, Issue:26	Synthesis and biological activity of novel nonnucleoside inhibitors of HIV-1 reverse transcriptase. 2-Aryl-substituted benzimidazoles.
AID391995	Antiviral activity against HIV2 ROD replication in human CEM cells assessed as inhibition of virus-induced cytopathic effect at subtoxic concentration after 5 days by tetrazolium-based colorimetric assay	2008	European journal of medicinal chemistry, Dec, Volume: 43, Issue:12	Design and synthesis of 2-(2,6-dibromophenyl)-3-heteroaryl-1,3-thiazolidin-4-ones as anti-HIV agents.
AID82443	Cross Resistance (antiviral activity) with L100I (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing assay	1997	Journal of medicinal chemistry, Dec-19, Volume: 40, Issue:26	Synthesis and biological activity of novel nonnucleoside inhibitors of HIV-1 reverse transcriptase. 2-Aryl-substituted benzimidazoles.
AID199988	Cross Resistance (antiviral activity) with NL4-3(WT) NNRTI (Non nucleoside reverse transcriptase inhibitor) resistant HIV isolate from cytopathic cell killing assay	1997	Journal of medicinal chemistry, Dec-19, Volume: 40, Issue:26	Synthesis and biological activity of novel nonnucleoside inhibitors of HIV-1 reverse transcriptase. 2-Aryl-substituted benzimidazoles.
AID1796412	HIV-1 RT Assay from Article 10.1021/jm049279a: \\Computational strategies in discovering novel non-nucleoside inhibitors of HIV-1 RT.\\	2005	Journal of medicinal chemistry, May-05, Volume: 48, Issue:9	Computational strategies in discovering novel non-nucleoside inhibitors of HIV-1 RT.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	6 (40.00)	18.2507
2000's	7 (46.67)	29.6817
2010's	2 (13.33)	24.3611
2020's	0 (0.00)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	1 (5.88%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	16 (94.12%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
guanidine Guanidine: A strong organic base existing primarily as guanidium ions at physiological pH. It is found in the urine as a normal product of protein metabolism. It is also used in laboratory research as a protein denaturant. (From Martindale, the Extra Pharmacopoeia, 30th ed and Merck Index, 12th ed) It is also used in the treatment of myasthenia and as a fluorescent probe in HPLC.. guanidine : An aminocarboxamidine, the parent compound of the guanidines.	2.04	1	carboxamidine; guanidines; one-carbon compound
nevirapine Nevirapine: A potent, non-nucleoside reverse transcriptase inhibitor used in combination with nucleoside analogues for treatment of HIV INFECTIONS and AIDS.. nevirapine : A dipyridodiazepine that is 5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepine which is substituted by methyl, oxo, and cyclopropyl groups at positions 4, 6, and 11, respectively. A non-nucleoside reverse transcriptase inhibitor with activity against HIV-1, it is used in combination with other antiretrovirals for the treatment of HIV infection.	2.04	1	cyclopropanes; dipyridodiazepine	antiviral drug; HIV-1 reverse transcriptase inhibitor
thiazoles [no description available]	3.61	9	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
zidovudine Zidovudine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by an azido group. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is a potent inhibitor of HIV replication, acting as a chain-terminator of viral DNA during reverse transcription. It improves immunologic function, partially reverses the HIV-induced neurological dysfunction, and improves certain other clinical abnormalities associated with AIDS. Its principal toxic effect is dose-dependent suppression of bone marrow, resulting in anemia and leukopenia.. zidovudine : A pyrimidine 2',3'-dideoxyribonucleoside compound having a 3'-azido substituent and thymine as the nucleobase.	1.98	1	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
sesamol sesamol: constituent of sesame oil; RN given refers to parent cpd; structure in first source	3.23	1	benzodioxoles
lopinavir [no description available]	3.23	1	amphetamines; dicarboxylic acid diamide	anticoronaviral agent; antiviral drug; HIV protease inhibitor
r 79882 R 79882: a non-nucleoside inhibitor of HIV-1 reverse transcriptase; structure given in first source	2	1
benzimidazol-2-one benzimidazol-2-one: non-catechol D1 & D2 dopamine receptor agonists; structure given in first source	2.11	1
darunavir Darunavir: An HIV PROTEASE INHIBITOR that is used in the treatment of AIDS and HIV INFECTIONS. Due to the emergence of ANTIVIRAL DRUG RESISTANCE when used alone, it is administered in combination with other ANTI-HIV AGENTS.. darunavir : An N,N-disubstituted benzenesulfonamide bearing an unsubstituted amino group at the 4-position, used for the treatment of HIV infection. A second-generation HIV protease inhibitor, darunavir was designed to form robust interactions with the protease enzyme from many strains of HIV, including those from treatment-experienced patients with multiple resistance mutations to other protease inhibitors.	3.23	1	carbamate ester; furofuran; sulfonamide	antiviral drug; HIV protease inhibitor
ritonavir Ritonavir: An HIV protease inhibitor that works by interfering with the reproductive cycle of HIV. It also inhibits CYTOCHROME P-450 CYP3A.. ritonavir : An L-valine derivative that is L-valinamide in which alpha-amino group has been acylated by a [(2-isopropyl-1,3-thiazol-4-yl)methyl]methylcarbamoyl group and in which a hydrogen of the carboxamide amino group has been replaced by a (2R,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl group. A CYP3A inhibitor and antiretroviral drug from the protease inhibitor class used to treat HIV infection and AIDS, it is often used as a fixed-dose combination with another protease inhibitor, lopinavir. Also used in combination with dasabuvir sodium hydrate, ombitasvir and paritaprevir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver.	3.23	1	1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas	antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic
betadex beta-Cyclodextrins: Cyclic GLUCANS consisting of seven (7) glucopyranose units linked by 1,4-glycosidic bonds.	1.98	1	cyclodextrin
5-(1,1-dioxido-1,2-thiazinan-2-yl)-n-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide 5-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide: structure in first source	3.23	1
bms-488043 BMS-488043: anti-HIV agent	3.23	1
bms 806 BMS 806: prevents entry of HIV into cells by binding HIV envelope protein gp120; no further info available 4/2002	3.23	1
bms-626529 [no description available]	3.23	1
hbbpc [no description available]	2.04	1
didanosine Didanosine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by a hydrogen. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. Didanosine is a potent inhibitor of HIV replication, acting as a chain-terminator of viral DNA by binding to reverse transcriptase; ddI is then metabolized to dideoxyadenosine triphosphate, its putative active metabolite.. didanosine : A purine 2',3'-dideoxyribonucleoside that is inosine in which the hydroxy groups at both the 2' and the 3' positions on the sugar moiety have been replaced by hydrogen. An antiviral drug, it is used as a medication to treat HIV/AIDS.	1.98	1	purine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor; geroprotector; HIV-1 reverse transcriptase inhibitor

Condition	Relationship Strength	Studies
HIV Coinfection [description not available]	2.03	1
HIV Infections Includes the spectrum of human immunodeficiency virus infections that range from asymptomatic seropositivity, thru AIDS-related complex (ARC), to acquired immunodeficiency syndrome (AIDS).	2.03	1
Leucocythaemia [description not available]	2	1
Leukemia A progressive, malignant disease of the blood-forming organs, characterized by distorted proliferation and development of leukocytes and their precursors in the blood and bone marrow. Leukemias were originally termed acute or chronic based on life expectancy but now are classified according to cellular maturity. Acute leukemias consist of predominately immature cells; chronic leukemias are composed of more mature cells. (From The Merck Manual, 2006)	2	1

1-(2',6'-difluorophenyl)-1h,3h-thiazolo(3,4-a)benzimidazole

Description

Cross-References

Synonyms (30)

Research Excerpts

Dosage Studied

Protein Targets (2)

Inhibition Measurements

Activation Measurements

Biological Processes (2)

Molecular Functions (2)

Bioassays (55)

Research

Studies (15)

Market Indicators

Research Demand Index: 11.45

Study Types

1-(2',6'-difluorophenyl)-1h,3h-thiazolo(3,4-a)benzimidazole

Description

Cross-References

Synonyms (30)

Research Excerpts

Dosage Studied

Protein Targets (2)

Inhibition Measurements

Activation Measurements

Biological Processes (2)

Molecular Functions (2)

Bioassays (55)

Research

Studies (15)

Market Indicators

Research Demand Index: 11.45

Study Types

Related Drugs (17)

Related Conditions (4)