4-((9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido(4,5-b)(1,4)diazepin-2-yl)amino)-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide: a polo-like kinase 1 inhibitor; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
| ID Source | ID |
|---|---|
| PubMed CID | 53357478 |
| CHEMBL ID | 2392545 |
| SCHEMBL ID | 1560793 |
| MeSH ID | M0575078 |
| Synonym |
|---|
| tak960 |
| TAK-960 , |
| tak 960 |
| 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5h-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-n-(1-methylpiperidin-4-yl)benzamide |
| 1j4 , |
| 5h,6h,7h,8h,9h-pyrimido[4,5-b][1,4]diazepin-2- |
| 4-({9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo- |
| yl)benzamide |
| yl}amino)-2-fluoro-5-methoxy-n-(1-methylpiperidin-4- |
| PB31224 |
| 1137868-52-0 |
| chembl2392545 , |
| bdbm50435727 |
| CS-4412 |
| SCHEMBL1560793 |
| 4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5h-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-2-fluoro-5-methoxy-n-(1-methyl-piperidin-4-yl)-benzamide |
| 4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5h-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-2-fluoro-5-methoxy-n-(1-methylpiperidin-4-yl)benzamide |
| AKOS025290223 |
| HY-15160 |
| J-003024 |
| EX-A382 |
| 4-({9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-5h,6h,7h,8h,9h-pyrimido[4,5-b][1,4]diazepin-2-yl}amino)-2-fluoro-5-methoxy-n-(1-methylpiperidin-4-yl)benzamide |
| 4-((9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5h-pyrimido(4,5-b)(1,4)diazepin-2-yl)amino)-2-fluoro-5-methoxy-n-(1-methylpiperidin-4-yl)benzamide |
| NCGC00387488-03 |
| 4-((9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5h-pyrimido[4,5-b][1,4]diazepin-2-yl)amino)-2-fluoro-5-methoxy-n-(1-methylpiperidin-4-yl)benzamide |
| 3831vfm1zb , |
| unii-3831vfm1zb |
| benzamide, 4-[(9-cyclopentyl-7,7-difluoro-6,7,8,9-tetrahydro-5-methyl-6-oxo-5h-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-n-(1-methyl-4-piperidinyl)- |
| FT-0751980 |
| BCP09476 |
| benzamide, 4-((9-cyclopentyl-7,7-difluoro-6,7,8,9-tetrahydro-5-methyl-6-oxo-5h-pyrimido(4,5-b)(1,4)diazepin-2-yl)amino)-2-fluoro-5-methoxy-n-(1-methyl-4-piperidinyl)- |
| 4-((9-cyclopentyl-7,7-difluoro-6,7,8,9-tetrahydro-5-methyl-6-oxo-5h-pyrimido(4,5-b)(1,4)diazepin-2-yl)amino)-2-fluoro-5-methoxy-n-(1-methyl-4-piperidinyl)benzamide |
| SB20412 |
| Q27452103 |
| MS-30195 |
| 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-8h-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-n-(1-methylpiperidin-4-yl)benzamide |
| AC-35770 |
| nsc768072 |
| nsc-768072 |
| NCGC00387488-01 |
| Excerpt | Reference | Relevance |
|---|---|---|
| "The ATP-binding cassette transporter P-glycoprotein (P-gp) is known to limit both brain penetration and oral bioavailability of many chemotherapy drugs." | ( A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Ambudkar, SV; Brimacombe, KR; Chen, L; Gottesman, MM; Guha, R; Hall, MD; Klumpp-Thomas, C; Lee, OW; Lee, TD; Lusvarghi, S; Robey, RW; Shen, M; Tebase, BG, 2019) | 0.51 |
| Protein | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| PPM1D protein | Homo sapiens (human) | Potency | 14.7403 | 0.0052 | 9.4661 | 32.9993 | AID1347411 |
| cytochrome P450 family 3 subfamily A polypeptide 4 | Homo sapiens (human) | Potency | 37.9083 | 0.0123 | 7.9835 | 43.2770 | AID1645841 |
| G | Vesicular stomatitis virus | Potency | 5.3547 | 0.0123 | 8.9648 | 39.8107 | AID1645842 |
| Interferon beta | Homo sapiens (human) | Potency | 12.3939 | 0.0033 | 9.1582 | 39.8107 | AID1347411; AID1645842 |
| HLA class I histocompatibility antigen, B alpha chain | Homo sapiens (human) | Potency | 5.3547 | 0.0123 | 8.9648 | 39.8107 | AID1645842 |
| Inositol hexakisphosphate kinase 1 | Homo sapiens (human) | Potency | 5.3547 | 0.0123 | 8.9648 | 39.8107 | AID1645842 |
| cytochrome P450 2C9, partial | Homo sapiens (human) | Potency | 5.3547 | 0.0123 | 8.9648 | 39.8107 | AID1645842 |
| [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) |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK1 | Homo sapiens (human) | IC50 (µMol) | 0.0014 | 0.0001 | 0.7734 | 9.0000 | AID1846341; AID753523 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID753523 | Inhibition of PLK1 (unknown origin) using biotin-AGAGTVPESIHSFIGDGLV as substrate by TR-FRET assay | 2013 | Bioorganic & medicinal chemistry letters, Jun-15, Volume: 23, Issue:12 | Discovery of TAK-960: an orally available small molecule inhibitor of polo-like kinase 1 (PLK1). |
| AID753519 | Clearance in rat at 1 mg/kg, iv and 5 mg/kg, po | 2013 | Bioorganic & medicinal chemistry letters, Jun-15, Volume: 23, Issue:12 | Discovery of TAK-960: an orally available small molecule inhibitor of polo-like kinase 1 (PLK1). |
| AID753517 | Volume of distribution at steady state in rat at 1 mg/kg, iv and 5 mg/kg, po | 2013 | Bioorganic & medicinal chemistry letters, Jun-15, Volume: 23, Issue:12 | Discovery of TAK-960: an orally available small molecule inhibitor of polo-like kinase 1 (PLK1). |
| AID753520 | Ratio of efflux ratio in pig LLC cells expressing MDR to efflux ratio in wild type pig LLC cells | 2013 | Bioorganic & medicinal chemistry letters, Jun-15, Volume: 23, Issue:12 | Discovery of TAK-960: an orally available small molecule inhibitor of polo-like kinase 1 (PLK1). |
| AID1846341 | Inhibition of PLK1 (unknown origin) | 2021 | European journal of medicinal chemistry, May-05, Volume: 217 | Recent progress in agents targeting polo-like kinases: Promising therapeutic strategies. |
| AID753518 | Half life in rat at 1 mg/kg, iv and 5 mg/kg, po | 2013 | Bioorganic & medicinal chemistry letters, Jun-15, Volume: 23, Issue:12 | Discovery of TAK-960: an orally available small molecule inhibitor of polo-like kinase 1 (PLK1). |
| AID753522 | Inhibition of PLK1 (21 to 351) (unknown origin) assessed as half life of dissociation rate using FAM-mTOR peptide as substrate | 2013 | Bioorganic & medicinal chemistry letters, Jun-15, Volume: 23, Issue:12 | Discovery of TAK-960: an orally available small molecule inhibitor of polo-like kinase 1 (PLK1). |
| AID753521 | Antiproliferative activity against human HT-29 cells after 72 hrs by Cell Titer-Glo Assay | 2013 | Bioorganic & medicinal chemistry letters, Jun-15, Volume: 23, Issue:12 | Discovery of TAK-960: an orally available small molecule inhibitor of polo-like kinase 1 (PLK1). |
| AID753516 | Oral bioavailability in rat at 5 mg/kg | 2013 | Bioorganic & medicinal chemistry letters, Jun-15, Volume: 23, Issue:12 | Discovery of TAK-960: an orally available small molecule inhibitor of polo-like kinase 1 (PLK1). |
| AID1296008 | Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening | 2020 | SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1 | Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening. |
| AID1347159 | Primary screen GU Rhodamine qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay | 2020 | Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 | Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors. |
| AID1346986 | P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen | 2019 | Molecular pharmacology, 11, Volume: 96, Issue:5 | A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. |
| AID1346987 | P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen | 2019 | Molecular pharmacology, 11, Volume: 96, Issue:5 | A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. |
| AID1347412 | qHTS assay to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: Counter screen cell viability and HiBit confirmation | 2020 | ACS chemical biology, 07-17, Volume: 15, Issue:7 | High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle. |
| AID1347160 | Primary screen NINDS Rhodamine qHTS for Zika virus inhibitors | 2020 | Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 | Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors. |
| AID1347411 | qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Mechanism Interrogation Plate v5.0 (MIPE) Libary | 2020 | ACS chemical biology, 07-17, Volume: 15, Issue:7 | High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle. |
| [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 | 0 (0.00) | 18.2507 |
| 2000's | 0 (0.00) | 29.6817 |
| 2010's | 7 (63.64) | 24.3611 |
| 2020's | 4 (36.36) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be moderate demand-to-supply ratio for research on this compound.
| This Compound (24.35) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 1 (9.09%) | 5.53% |
| Reviews | 2 (18.18%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 8 (72.73%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||