Tjipanazole I

Details

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Internal ID 58e331bb-dc8c-4ce0-b626-d74624e30f14
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Carbazoles > Pyrrolocarbazoles > Indolocarbazoles
IUPAC Name 3-chloro-11,12-dihydroindolo[2,3-a]carbazole
SMILES (Canonical) C1=CC=C2C(=C1)C3=C(N2)C4=C(C=C3)C5=C(N4)C=CC(=C5)Cl
SMILES (Isomeric) C1=CC=C2C(=C1)C3=C(N2)C4=C(C=C3)C5=C(N4)C=CC(=C5)Cl
InChI InChI=1S/C18H11ClN2/c19-10-5-8-16-14(9-10)13-7-6-12-11-3-1-2-4-15(11)20-17(12)18(13)21-16/h1-9,20-21H
InChI Key FTMOEUBKRZXYEX-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C18H11ClN2
Molecular Weight 290.70 g/mol
Exact Mass 290.0610761 g/mol
Topological Polar Surface Area (TPSA) 31.60 Ų
XlogP 5.50

Synonyms

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SCHEMBL16432834
DTXSID601333985

2D Structure

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2D Structure of Tjipanazole I

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.65% 91.11%
CHEMBL240 Q12809 HERG 97.53% 89.76%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 92.10% 94.45%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.38% 95.56%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 89.35% 91.71%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 89.17% 86.92%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 88.64% 94.62%
CHEMBL3155 P34969 Serotonin 7 (5-HT7) receptor 87.96% 90.71%
CHEMBL2094127 P06493 Cyclin-dependent kinase 1/cyclin B 86.35% 96.00%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 85.42% 85.94%
CHEMBL3227 P41594 Metabotropic glutamate receptor 5 84.51% 96.42%
CHEMBL3902 P09211 Glutathione S-transferase Pi 83.82% 93.81%
CHEMBL2292 Q13627 Dual-specificity tyrosine-phosphorylation regulated kinase 1A 83.29% 93.24%
CHEMBL1781 P11387 DNA topoisomerase I 81.99% 97.00%
CHEMBL255 P29275 Adenosine A2b receptor 81.76% 98.59%
CHEMBL213 P08588 Beta-1 adrenergic receptor 81.28% 95.56%
CHEMBL3202 P48147 Prolyl endopeptidase 81.12% 90.65%
CHEMBL1952 P04818 Thymidylate synthase 80.32% 93.53%
CHEMBL216 P11229 Muscarinic acetylcholine receptor M1 80.27% 94.23%
CHEMBL2708 Q16584 Mitogen-activated protein kinase kinase kinase 11 80.18% 81.14%
CHEMBL2104 Q99571 P2X purinoceptor 4 80.18% 97.50%

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.
There are no matching plants.

Cross-Links

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PubChem 10755969
LOTUS LTS0214672
wikiData Q104203093