Agn-PC-0LP6DV

Details

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Internal ID f0a205b9-e17c-45c2-9222-e667dbe26730
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Indolecarboxylic acids and derivatives
IUPAC Name 5,15-dihydroxy-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-4(9),5,7,14(19),15,17-hexaene-2,12-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C18H14N2O4/c21-13-5-1-3-9-7-11-17(23)20-12(18(24)19(11)15(9)13)8-10-4-2-6-14(22)16(10)20/h1-6,11-12,21-22H,7-8H2
InChI Key GTOVKZDHLOHHHT-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C18H14N2O4
Molecular Weight 322.30 g/mol
Exact Mass 322.09535693 g/mol
Topological Polar Surface Area (TPSA) 81.10 Ų
XlogP 1.60

Synonyms

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AGN-PC-0LP6DV
DTXSID00413419

2D Structure

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2D Structure of Agn-PC-0LP6DV

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL2581 P07339 Cathepsin D 95.34% 98.95%
CHEMBL217 P14416 Dopamine D2 receptor 95.17% 95.62%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.10% 95.56%
CHEMBL1951 P21397 Monoamine oxidase A 94.81% 91.49%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.94% 91.11%
CHEMBL3192 Q9BY41 Histone deacetylase 8 92.44% 93.99%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.32% 96.09%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 88.39% 93.40%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 86.86% 99.23%
CHEMBL1902 P62942 FK506-binding protein 1A 84.58% 97.05%
CHEMBL3137262 O60341 LSD1/CoREST complex 82.30% 97.09%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 81.88% 93.03%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.77% 90.71%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 5252536
LOTUS LTS0215611
wikiData Q82221503