Versiquinazoline C

Details

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Internal ID 3c21cbe9-a8a2-4e65-9e49-41ae9b62814c
Taxonomy Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinazolines
IUPAC Name
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C24H19N5O4/c30-18-16-11-24(13-6-2-4-8-15(13)29-21(24)27-23(9-10-23)22(29)32)33-19(26-18)17-25-14-7-3-1-5-12(14)20(31)28(16)17/h1-8,16,19,21,27H,9-11H2,(H,26,30)/t16-,19-,21+,24-/m0/s1
InChI Key HMOZULVKWBXSPA-MGUJFXTKSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C24H19N5O4
Molecular Weight 441.40 g/mol
Exact Mass 441.14370410 g/mol
Topological Polar Surface Area (TPSA) 103.00 Ų
XlogP 0.50

Synonyms

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CHEMBL4080136

2D Structure

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2D Structure of Versiquinazoline C

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
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 98.73% 94.62%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.16% 95.56%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 95.78% 99.23%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 95.25% 93.40%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.50% 96.09%
CHEMBL216 P11229 Muscarinic acetylcholine receptor M1 94.37% 94.23%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.24% 91.11%
CHEMBL1937 Q92769 Histone deacetylase 2 94.14% 94.75%
CHEMBL204 P00734 Thrombin 92.96% 96.01%
CHEMBL4302 P08183 P-glycoprotein 1 90.47% 92.98%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.19% 86.33%
CHEMBL1821 P08173 Muscarinic acetylcholine receptor M4 89.13% 94.08%
CHEMBL3192 Q9BY41 Histone deacetylase 8 88.61% 93.99%
CHEMBL3384 Q16512 Protein kinase N1 87.74% 80.71%
CHEMBL2581 P07339 Cathepsin D 86.55% 98.95%
CHEMBL3310 Q96DB2 Histone deacetylase 11 86.09% 88.56%
CHEMBL2716 Q8WUI4 Histone deacetylase 7 85.91% 89.44%
CHEMBL5805 Q9NR97 Toll-like receptor 8 85.65% 96.25%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 85.14% 94.00%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 84.20% 100.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 83.60% 97.09%
CHEMBL2693 Q9UIQ6 Cystinyl aminopeptidase 83.48% 97.64%
CHEMBL2959 Q08881 Tyrosine-protein kinase ITK/TSK 83.25% 95.00%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 83.04% 93.04%
CHEMBL2095226 P05556 Integrin alpha-5/beta-1 82.93% 96.39%
CHEMBL1806 P11388 DNA topoisomerase II alpha 82.50% 89.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 82.42% 85.14%
CHEMBL2492 P36544 Neuronal acetylcholine receptor protein alpha-7 subunit 82.21% 88.42%
CHEMBL2553 Q15418 Ribosomal protein S6 kinase alpha 1 81.68% 85.11%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 81.62% 92.67%
CHEMBL5103 Q969S8 Histone deacetylase 10 80.16% 90.08%

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 132585118
LOTUS LTS0085459
wikiData Q105030615