10-Methyl-8H-benzo(b)pyrido(4,3,2-de)(1,8)phenanthroline-8,11(10H)-dione

Details

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Internal ID f453de4f-8cf2-4369-9f76-a0f2f5178758
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Pyridoacridines > Pyrido[2,3,4-kl]acridines
IUPAC Name 5-methyl-5,10,20-triazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2,6,9,11,13(21),14,16,18-nonaene-4,8-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C19H11N3O2/c1-22-9-13-12(8-15(22)23)17-16-11(6-7-20-18(16)19(13)24)10-4-2-3-5-14(10)21-17/h2-9H,1H3
InChI Key GPJKOFLDDKEODA-UHFFFAOYSA-N
Popularity 12 references in papers

Physical and Chemical Properties

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Molecular Formula C19H11N3O2
Molecular Weight 313.30 g/mol
Exact Mass 313.085126602 g/mol
Topological Polar Surface Area (TPSA) 63.20 Ų
XlogP 1.60

Synonyms

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86047-14-5
8H-Benzo(b)pyrido(4,3,2-de)(1,8)phenanthroline-8,11(10H)-dione, 10-methyl-
8VI87R49CG
NSC-377099
Amphimallon majalisEuropean chafer is also indexed at this headingAmphimedine
NSC 377099
UNII-8VI87R49CG
SCHEMBL7220001
DTXSID90235364
NSC377099
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 10-Methyl-8H-benzo(b)pyrido(4,3,2-de)(1,8)phenanthroline-8,11(10H)-dione

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
CHEMBL1806 P11388 DNA topoisomerase II alpha 97.10% 89.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 96.97% 85.14%
CHEMBL2581 P07339 Cathepsin D 96.56% 98.95%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 96.52% 96.67%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.81% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 94.33% 86.33%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 92.93% 99.23%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 92.21% 94.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.82% 96.09%
CHEMBL1868 P17948 Vascular endothelial growth factor receptor 1 90.02% 96.47%
CHEMBL1951 P21397 Monoamine oxidase A 89.97% 91.49%
CHEMBL5805 Q9NR97 Toll-like receptor 8 89.08% 96.25%
CHEMBL1781 P11387 DNA topoisomerase I 86.43% 97.00%
CHEMBL3524 P56524 Histone deacetylase 4 85.97% 92.97%
CHEMBL3476 O15111 Inhibitor of nuclear factor kappa B kinase alpha subunit 85.48% 95.83%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 85.48% 100.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 85.12% 96.00%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 84.66% 94.42%
CHEMBL2094121 P14867 GABA-A receptor; alpha-1/beta-3/gamma-2 84.48% 95.50%
CHEMBL1914 P06276 Butyrylcholinesterase 83.15% 95.00%
CHEMBL3401 O75469 Pregnane X receptor 81.75% 94.73%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 81.37% 93.10%
CHEMBL2094127 P06493 Cyclin-dependent kinase 1/cyclin B 80.54% 96.00%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 80.41% 92.67%
CHEMBL3192 Q9BY41 Histone deacetylase 8 80.37% 93.99%

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 100819
LOTUS LTS0121226
wikiData Q83117257