Benzo(c)(2,7)naphthyridin-4(3H)-one

Details

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Internal ID 04c841a1-dfb0-4199-bb18-2a1168f03b32
Taxonomy Organoheterocyclic compounds > Diazanaphthalenes > Naphthyridines
IUPAC Name 3H-benzo[f][2,7]naphthyridin-4-one
SMILES (Canonical) C1=CC=C2C(=C1)C3=C(C=N2)C(=O)NC=C3
SMILES (Isomeric) C1=CC=C2C(=C1)C3=C(C=N2)C(=O)NC=C3
InChI InChI=1S/C12H8N2O/c15-12-10-7-14-11-4-2-1-3-9(11)8(10)5-6-13-12/h1-7H,(H,13,15)
InChI Key ULIAUQBOGQCMQM-UHFFFAOYSA-N
Popularity 6 references in papers

Physical and Chemical Properties

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Molecular Formula C12H8N2O
Molecular Weight 196.20 g/mol
Exact Mass 196.063662883 g/mol
Topological Polar Surface Area (TPSA) 42.00 Ų
XlogP 1.60

Synonyms

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7344-61-8
Benzo(c)(2,7)naphthyridin-4(3H)-one
CHEMBL4162200
DTXSID50223666
NSC756043
NSC-756043

2D Structure

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2D Structure of Benzo(c)(2,7)naphthyridin-4(3H)-one

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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.34% 95.56%
CHEMBL4040 P28482 MAP kinase ERK2 90.43% 83.82%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.17% 91.11%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 90.05% 92.67%
CHEMBL2535 P11166 Glucose transporter 87.99% 98.75%
CHEMBL1937 Q92769 Histone deacetylase 2 87.89% 94.75%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 86.97% 99.23%
CHEMBL1806 P11388 DNA topoisomerase II alpha 85.43% 89.00%
CHEMBL5103 Q969S8 Histone deacetylase 10 85.36% 90.08%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 85.25% 94.00%
CHEMBL3310 Q96DB2 Histone deacetylase 11 83.96% 88.56%
CHEMBL1868 P17948 Vascular endothelial growth factor receptor 1 83.12% 96.47%
CHEMBL255 P29275 Adenosine A2b receptor 82.87% 98.59%
CHEMBL1781 P11387 DNA topoisomerase I 82.21% 97.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 82.18% 93.99%
CHEMBL3384 Q16512 Protein kinase N1 81.41% 80.71%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 81.26% 94.62%
CHEMBL2693 Q9UIQ6 Cystinyl aminopeptidase 81.10% 97.64%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 80.23% 85.14%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Glycine max

Cross-Links

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PubChem 5748566
LOTUS LTS0132169
wikiData Q83102135