ID Source | ID |
---|---|
PubMed CID | 6438437 |
CHEMBL ID | 472850 |
SCHEMBL ID | 33582 |
Synonym |
---|
ACON1_002056 |
(13)cytochalasa-13,17,21-triene-1,20,23-trione, 6,7-epoxy-19-hydroxy-10-(1h-indol-3-yl)-16,18-dimethyl-, (7s,13e,16s,17e,19r,21e)- |
nsc 366739 |
brn 1097707 |
ACON0_000301 |
MEGXM0_000025 |
LMPK11000003 |
inchi=1/c32h36n2o5/c1-17-8-7-10-22-29-31(4,39-29)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(38)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-14,16-17,19,22,24,27-29,33,37h,8,15h2,1-4h3,(h,34,38)/b10-7+,13-12+,18-14+/t17-,19-,22-,24-,27-,28+,29 |
oumwcymrlmezjh-voxrautjsa- |
CHEMBL472850 |
unii-73ayl68tnx |
73ayl68tnx , |
SCHEMBL33582 |
REGID_FOR_CID_6438437 |
DTXSID20891790 |
Q15410885 |
HY-N6744 |
CS-0092508 |
(1r,3e,6r,7e,9s,11e,13r,14s,16r,17s,18r,19s)-6-hydroxy-19-(1h-indol-3-ylmethyl)-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-3,7,11-triene-2,5,21-trione |
Role | Description |
---|---|
Chaetomium metabolite | Any fungal metabolite produced during a metabolic reaction in the mould, Chaetomium. |
[role 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] |
Class | Description |
---|---|
cytochalasan alkaloid | Any alkaloid characterized by the presence of an isoindole nucleus fused to a macrocyclic ring. |
indoles | Any compound containing an indole skeleton. |
macrocycle | A cyclic compound containing nine or more atoms as part of the cyclic system. |
epoxide | Any cyclic ether in which the oxygen atom forms part of a 3-membered ring. |
secondary alpha-hydroxy ketone | An alpha-hydroxy ketone in which the carbonyl group and the hydroxy group are linked by a carbon bearing one hydrogen and one organyl group. Secondary alpha-hydroxy ketones are also known as acyloins, and are formally derived from reductive coupling of two carboxylic acid groups. |
[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, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE | Homo sapiens (human) | Potency | 15.8489 | 0.0032 | 45.4673 | 12,589.2998 | AID2517 |
glp-1 receptor, partial | Homo sapiens (human) | Potency | 28.1838 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
thioredoxin reductase | Rattus norvegicus (Norway rat) | Potency | 50.1187 | 0.1000 | 20.8793 | 79.4328 | AID588453 |
phosphopantetheinyl transferase | Bacillus subtilis | Potency | 12.5893 | 0.1413 | 37.9142 | 100.0000 | AID1490 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 23.0999 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
TDP1 protein | Homo sapiens (human) | Potency | 0.1458 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
Microtubule-associated protein tau | Homo sapiens (human) | Potency | 0.8913 | 0.1800 | 13.5574 | 39.8107 | AID1460 |
Smad3 | Homo sapiens (human) | Potency | 2.8184 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
regulator of G-protein signaling 4 | Homo sapiens (human) | Potency | 50.1187 | 0.5318 | 15.4358 | 37.6858 | AID504845 |
67.9K protein | Vaccinia virus | Potency | 11.2947 | 0.0001 | 8.4406 | 100.0000 | AID720579; AID720580 |
bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 56.2341 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
serine-protein kinase ATM isoform a | Homo sapiens (human) | Potency | 39.8107 | 0.7079 | 25.1119 | 41.2351 | AID485349 |
vitamin D3 receptor isoform VDRA | Homo sapiens (human) | Potency | 19.9526 | 0.3548 | 28.0659 | 89.1251 | AID504847 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 8.1995 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
parathyroid hormone/parathyroid hormone-related peptide receptor precursor | Homo sapiens (human) | Potency | 4.4668 | 3.5481 | 19.5427 | 44.6684 | AID743266 |
huntingtin isoform 2 | Homo sapiens (human) | Potency | 1.0000 | 0.0006 | 18.4198 | 1,122.0200 | AID1688 |
importin subunit beta-1 isoform 1 | Homo sapiens (human) | Potency | 89.1251 | 5.8048 | 36.1306 | 65.1308 | AID540263 |
pyruvate kinase PKM isoform a | Homo sapiens (human) | Potency | 11.2202 | 0.0401 | 7.4590 | 31.6228 | AID1631; AID1634 |
DNA polymerase beta | Homo sapiens (human) | Potency | 22.3872 | 0.0224 | 21.0102 | 89.1251 | AID485314 |
mitogen-activated protein kinase 1 | Homo sapiens (human) | Potency | 0.7943 | 0.0398 | 16.7842 | 39.8107 | AID1454 |
serine/threonine-protein kinase PLK1 | Homo sapiens (human) | Potency | 26.6795 | 0.1683 | 16.4040 | 67.0158 | AID720504 |
snurportin-1 | Homo sapiens (human) | Potency | 89.1251 | 5.8048 | 36.1306 | 65.1308 | AID540263 |
DNA polymerase eta isoform 1 | Homo sapiens (human) | Potency | 15.8489 | 0.1000 | 28.9256 | 213.3130 | AID588591 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 56.2341 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
urokinase-type plasminogen activator precursor | Mus musculus (house mouse) | Potency | 0.7943 | 0.1585 | 5.2879 | 12.5893 | AID540303 |
plasminogen precursor | Mus musculus (house mouse) | Potency | 0.7943 | 0.1585 | 5.2879 | 12.5893 | AID540303 |
urokinase plasminogen activator surface receptor precursor | Mus musculus (house mouse) | Potency | 0.7943 | 0.1585 | 5.2879 | 12.5893 | AID540303 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 8.4218 | 0.0079 | 8.2332 | 1,122.0200 | AID2546; AID2551 |
lethal(3)malignant brain tumor-like protein 1 isoform I | Homo sapiens (human) | Potency | 14.1254 | 0.0752 | 15.2253 | 39.8107 | AID485360 |
geminin | Homo sapiens (human) | Potency | 0.9445 | 0.0046 | 11.3741 | 33.4983 | AID624296; AID624297 |
DNA polymerase kappa isoform 1 | Homo sapiens (human) | Potency | 79.4328 | 0.0316 | 22.3146 | 100.0000 | AID588579 |
neuropeptide S receptor isoform A | Homo sapiens (human) | Potency | 25.1189 | 0.0158 | 12.3113 | 615.5000 | AID1461 |
Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) | Potency | 89.1251 | 6.3096 | 60.2008 | 112.2020 | AID720709 |
TAR DNA-binding protein 43 | Homo sapiens (human) | Potency | 11.2202 | 1.7783 | 16.2081 | 35.4813 | AID652104 |
[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) |
---|---|---|---|---|---|---|---|
neuropeptide Y receptor type 1 | Homo sapiens (human) | IC50 (µMol) | 10.5900 | 1.9380 | 6.5067 | 9.0040 | AID1277 |
neuropeptide Y receptor type 2 | Homo sapiens (human) | IC50 (µMol) | 4.7600 | 0.2200 | 4.4947 | 8.1510 | AID1278 |
[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) |
---|---|---|---|---|---|---|---|
Chain A, BCL-2-RELATED PROTEIN A1 | Homo sapiens (human) | EC50 (µMol) | 216.4000 | 8.0570 | 121.1218 | 338.0000 | AID2765 |
Hsf1 protein | Mus musculus (house mouse) | EC50 (µMol) | 6.2430 | 0.1600 | 24.4900 | 236.5000 | AID435004 |
neuropeptide Y receptor type 1 | Homo sapiens (human) | EC50 (µMol) | 35.4300 | 9.7960 | 9.7960 | 9.7960 | AID2212 |
E3 ubiquitin-protein ligase Mdm2 isoform a | Homo sapiens (human) | EC50 (µMol) | 12.0200 | 0.0800 | 478.5789 | 4,301.1099 | AID1394 |
bcl-2-like protein 11 isoform 1 | Homo sapiens (human) | EC50 (µMol) | 216.4000 | 8.0570 | 121.1218 | 338.0000 | AID2765 |
[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) |
---|---|---|---|---|---|---|---|
Chain A, BCL-2-RELATED PROTEIN A1 | Homo sapiens (human) | AC50 | 133.3303 | 0.9200 | 95.9176 | 498.8000 | AID449754; AID449755; AID449757 |
Bcl-2-like protein 11 | Homo sapiens (human) | AC50 | 9.8410 | 9.8410 | 85.8882 | 287.1000 | AID449757 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
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. |
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. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
AID1433571 | Cytotoxicity against human HepG2 cells by MTT assay | 2016 | Journal of natural products, 10-28, Volume: 79, Issue:10 | Overexpression of the Global Regulator LaeA in Chaetomium globosum Leads to the Biosynthesis of Chaetoglobosin Z. |
AID333398 | Antifungal activity against Cladosporium resinae at 15 ug/disk | 2004 | Journal of natural products, Oct, Volume: 67, Issue:10 | Chaetoglobosins Q, R, and T, three further new metabolites from Chaetomium globosum. |
AID333396 | Antibacterial activity against Bacillus subtilis at 15 ug/disk | 2004 | Journal of natural products, Oct, Volume: 67, Issue:10 | Chaetoglobosins Q, R, and T, three further new metabolites from Chaetomium globosum. |
AID333395 | Cytotoxicity against mouse P388 cells | 2004 | Journal of natural products, Oct, Volume: 67, Issue:10 | Chaetoglobosins Q, R, and T, three further new metabolites from Chaetomium globosum. |
AID414387 | Antimicrobial activity against Mucor miehei at 10 ug/disk by agar diffusion method | 2009 | Bioorganic & medicinal chemistry letters, Mar-15, Volume: 19, Issue:6 | Bioactive metabolites produced by Chaetomium globosum, an endophytic fungus isolated from Ginkgo biloba. |
AID333399 | Cytotoxicity against human HeLa cells | 2004 | Journal of natural products, Oct, Volume: 67, Issue:10 | Chaetoglobosins Q, R, and T, three further new metabolites from Chaetomium globosum. |
AID414386 | Toxicity against Artemia salina assessed as mortality rate at 10 ug/mL after 24 hrs by small modified microtiter-plate method | 2009 | Bioorganic & medicinal chemistry letters, Mar-15, Volume: 19, Issue:6 | Bioactive metabolites produced by Chaetomium globosum, an endophytic fungus isolated from Ginkgo biloba. |
[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 (37.50) | 29.6817 |
2010's | 4 (50.00) | 24.3611 |
2020's | 1 (12.50) | 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 (34.50) All Compounds (24.57) |
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 | 8 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |