5,11-Dimethyl-4,6-dihydro-3H-pyrido[4,3-b]carbazole

Details

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Internal ID b1d38e0c-72bb-42ac-967c-bc85c075c936
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Carbazoles
IUPAC Name 5,11-dimethyl-4,6-dihydro-3H-pyrido[4,3-b]carbazole
SMILES (Canonical) CC1=C2CCN=CC2=C(C3=C1NC4=CC=CC=C43)C
SMILES (Isomeric) CC1=C2CCN=CC2=C(C3=C1NC4=CC=CC=C43)C
InChI InChI=1S/C17H16N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-6,9,19H,7-8H2,1-2H3
InChI Key CKERKSAMDZOBHU-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C17H16N2
Molecular Weight 248.32 g/mol
Exact Mass 248.131348519 g/mol
Topological Polar Surface Area (TPSA) 28.20 Ų
XlogP 3.50

Synonyms

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5,11-Dimethyl-4,6-dihydro-3H-pyrido[4,3-b]carbazole
CHEMBL3290610
DTXSID10726901

2D Structure

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2D Structure of 5,11-Dimethyl-4,6-dihydro-3H-pyrido[4,3-b]carbazole

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
CHEMBL240 Q12809 HERG 97.41% 89.76%
CHEMBL1951 P21397 Monoamine oxidase A 95.79% 91.49%
CHEMBL3192 Q9BY41 Histone deacetylase 8 94.97% 93.99%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.83% 95.56%
CHEMBL3310 Q96DB2 Histone deacetylase 11 92.37% 88.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.59% 91.11%
CHEMBL4302 P08183 P-glycoprotein 1 88.90% 92.98%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.42% 94.45%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 86.32% 93.65%
CHEMBL2095226 P05556 Integrin alpha-5/beta-1 85.48% 96.39%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 84.57% 96.09%
CHEMBL4145 Q9UKV0 Histone deacetylase 9 84.44% 85.49%
CHEMBL1821 P08173 Muscarinic acetylcholine receptor M4 84.43% 94.08%
CHEMBL3902 P09211 Glutathione S-transferase Pi 83.99% 93.81%
CHEMBL1781 P11387 DNA topoisomerase I 83.88% 97.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 83.61% 94.00%
CHEMBL2581 P07339 Cathepsin D 83.48% 98.95%
CHEMBL2535 P11166 Glucose transporter 82.62% 98.75%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 82.57% 96.67%
CHEMBL255 P29275 Adenosine A2b receptor 82.16% 98.59%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 81.75% 91.71%
CHEMBL5103 Q969S8 Histone deacetylase 10 81.65% 90.08%
CHEMBL2717 Q9HCR9 Phosphodiesterase 11A 81.62% 85.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 81.05% 99.23%
CHEMBL1913 P09619 Platelet-derived growth factor receptor beta 80.61% 95.70%

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.
Aspidosperma subincanum
Ochrosia balansae

Cross-Links

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PubChem 57494722
LOTUS LTS0077128
wikiData Q82667837