peniprequinolone profile

peniprequinolone: isolated from Penicillium simplicissimum; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

ID Source	ID
PubMed CID	16681748
CHEMBL ID	516699
CHEBI ID	181572
MeSH ID	M0386838

Synonym
(3r,4r)-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-6-(3-methylbut-2-enyl)-1,3-dihydroquinolin-2-one
CHEBI:181572
peniprequinolone
ACON1_002367
MEGXM0_000249
smr000440679
MLS000876990
ACON0_000817
NCGC00169912-01
BRD-K17006545-001-01-3
CHEMBL516699
HMS2267M24
(3r,4r)-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-6-(3-methylbut-2-en-1-yl)-3,4-dihydroquinolin-2(1h)-one
NCGC00169912-03

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

Class	Description
quinolines	A class of aromatic heterocyclic compounds each of which contains a benzene ring ortho fused to carbons 2 and 3 of a pyridine ring.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, Beta-lactamase	Escherichia coli K-12	Potency	39.8107	0.0447	17.8581	100.0000	AID485341
Chain A, JmjC domain-containing histone demethylation protein 3A	Homo sapiens (human)	Potency	56.2341	0.6310	35.7641	100.0000	AID504339
Chain A, Ferritin light chain	Equus caballus (horse)	Potency	22.3872	5.6234	17.2929	31.6228	AID485281
glp-1 receptor, partial	Homo sapiens (human)	Potency	11.2202	0.0184	6.8060	14.1254	AID624417
nuclear factor erythroid 2-related factor 2 isoform 2	Homo sapiens (human)	Potency	2.9093	0.0041	9.9848	25.9290	AID504444
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	Homo sapiens (human)	Potency	79.4328	0.4256	12.0591	28.1838	AID504891
DNA polymerase iota isoform a (long)	Homo sapiens (human)	Potency	44.6684	0.0501	27.0736	89.1251	AID588590
nuclear receptor ROR-gamma isoform 1	Mus musculus (house mouse)	Potency	0.2512	0.0079	8.2332	1,122.0200	AID2551
histone acetyltransferase KAT2A isoform 1	Homo sapiens (human)	Potency	0.1000	0.2512	15.8432	39.8107	AID504327
neuropeptide S receptor isoform A	Homo sapiens (human)	Potency	12.5893	0.0158	12.3113	615.5000	AID1461
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (26)

Assay ID	Title	Year	Journal	Article
AID504810	Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504812	Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID404089	Cytotoxicity against human Caki1 cells assessed as cell viability at 10 ug/mL by SRB assay	2005	Journal of natural products, Sep, Volume: 68, Issue:9	Diastereomeric quinolinone alkaloids from the marine-derived fungus Penicillium janczewskii.
AID404087	Cytotoxicity against human HT-29 cells assessed as cell viability at 10 ug/mL by SRB assay	2005	Journal of natural products, Sep, Volume: 68, Issue:9	Diastereomeric quinolinone alkaloids from the marine-derived fungus Penicillium janczewskii.
AID404085	Cytotoxicity against human DU145 cells assessed as cell viability at 10 ug/mL by SRB assay	2005	Journal of natural products, Sep, Volume: 68, Issue:9	Diastereomeric quinolinone alkaloids from the marine-derived fungus Penicillium janczewskii.
AID404090	Cytotoxicity against human SK-MEL-2 cells assessed as cell viability at 10 ug/mL by SRB assay	2005	Journal of natural products, Sep, Volume: 68, Issue:9	Diastereomeric quinolinone alkaloids from the marine-derived fungus Penicillium janczewskii.
AID404086	Cytotoxicity against human SKOV3 cells assessed as cell viability at 10 ug/mL by SRB assay	2005	Journal of natural products, Sep, Volume: 68, Issue:9	Diastereomeric quinolinone alkaloids from the marine-derived fungus Penicillium janczewskii.
AID404091	Cytotoxicity against human K562 cells assessed as cell viability at 10 ug/mL by SRB assay	2005	Journal of natural products, Sep, Volume: 68, Issue:9	Diastereomeric quinolinone alkaloids from the marine-derived fungus Penicillium janczewskii.
AID404084	Cytotoxicity against human MDA-MB-231 cells assessed as cell viability at 10 ug/mL by SRB assay	2005	Journal of natural products, Sep, Volume: 68, Issue:9	Diastereomeric quinolinone alkaloids from the marine-derived fungus Penicillium janczewskii.
AID404088	Cytotoxicity against human A549 cells assessed as cell viability at 10 ug/mL by SRB assay	2005	Journal of natural products, Sep, Volume: 68, Issue:9	Diastereomeric quinolinone alkaloids from the marine-derived fungus Penicillium janczewskii.
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.
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.
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.
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.
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.
[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	3 (30.00)	29.6817
2010's	4 (40.00)	24.3611
2020's	3 (30.00)	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	0 (0.00%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	10 (100.00%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Trials	Classes	Roles
carbostyril Quinolones: A group of derivatives of naphthyridine carboxylic acid, quinoline carboxylic acid, or NALIDIXIC ACID.. quinolin-2(1H)-one : A quinolone that is 1,2-dihydroquinoline substituted by an oxo group at position 2.	2	1	0	monohydroxyquinoline; quinolone	bacterial xenobiotic metabolite
cyclopenin cyclopenin: Penicillium metabolite; structure	2	1	0

Condition	Relationship Strength	Studies
Innate Inflammatory Response [description not available]	2.05	1
Inflammation A pathological process characterized by injury or destruction of tissues caused by a variety of cytologic and chemical reactions. It is usually manifested by typical signs of pain, heat, redness, swelling, and loss of function.	2.05	1
Congenital Zika Syndrome [description not available]	2.25	1
Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.	2.25	1
Zika Virus Infection A viral disease transmitted by the bite of AEDES mosquitoes infected with ZIKA VIRUS. Its mild DENGUE-like symptoms include fever, rash, headaches and ARTHRALGIA. The viral infection during pregnancy, in rare cases, is associated with congenital brain and ocular abnormalities, called Congenital Zika Syndrome, including MICROCEPHALY and may also lead to GUILLAIN-BARRE SYNDROME.	2.25	1

peniprequinolone

Description

Cross-References

Synonyms (14)

Research Excerpts

Bioavailability

Drug Classes (1)

Protein Targets (10)

Potency Measurements

Bioassays (26)

Research

Studies (10)

Study Types

peniprequinolone

Description

Cross-References

Synonyms (14)

Research Excerpts

Bioavailability

Drug Classes (1)

Protein Targets (10)

Potency Measurements

Bioassays (26)

Research

Studies (10)

Study Types

Related Drugs (2)

Related Conditions (5)