Tjipanazole J

Details

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Internal ID fdc50edd-cd0f-4c6b-9417-137006dc1dc2
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Carbazoles > Pyrrolocarbazoles > Indolocarbazoles
IUPAC Name 7,19-dichloro-14-hydroxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaen-12-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H11Cl2N3O2/c21-7-1-3-11-9(5-7)13-15-16(20(27)25-19(15)26)14-10-6-8(22)2-4-12(10)24-18(14)17(13)23-11/h1-6,19,23-24,26H,(H,25,27)
InChI Key VPAUHAGHNLTFEI-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C20H11Cl2N3O2
Molecular Weight 396.20 g/mol
Exact Mass 395.0228320 g/mol
Topological Polar Surface Area (TPSA) 80.90 Ų
XlogP 4.40

Synonyms

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DTXSID001047790

2D Structure

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2D Structure of Tjipanazole J

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
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 99.37% 94.45%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.04% 91.11%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 94.99% 86.92%
CHEMBL255 P29275 Adenosine A2b receptor 90.63% 98.59%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.95% 95.56%
CHEMBL2581 P07339 Cathepsin D 89.82% 98.95%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 89.62% 85.94%
CHEMBL213 P08588 Beta-1 adrenergic receptor 89.51% 95.56%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 88.94% 93.03%
CHEMBL1951 P21397 Monoamine oxidase A 87.18% 91.49%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 86.13% 94.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.50% 89.00%
CHEMBL1781 P11387 DNA topoisomerase I 83.59% 97.00%
CHEMBL2094127 P06493 Cyclin-dependent kinase 1/cyclin B 83.40% 96.00%
CHEMBL4040 P28482 MAP kinase ERK2 82.88% 83.82%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 81.61% 91.71%
CHEMBL5852 Q96P65 Pyroglutamylated RFamide peptide receptor 80.85% 85.00%

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 15705741
LOTUS LTS0175469
wikiData Q104203094