Collismycin A

Details

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Internal ID 98eb5511-6aad-4895-92de-364a24b16b6b
Taxonomy Organoheterocyclic compounds > Pyridines and derivatives > Bipyridines and oligopyridines
IUPAC Name (NE)-N-[(4-methoxy-3-methylsulfanyl-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C13H13N3O2S/c1-18-12-7-10(9-5-3-4-6-14-9)16-11(8-15-17)13(12)19-2/h3-8,17H,1-2H3/b15-8+
InChI Key NQGMIPUYCWIEAW-OVCLIPMQSA-N
Popularity 19 references in papers

Physical and Chemical Properties

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Molecular Formula C13H13N3O2S
Molecular Weight 275.33 g/mol
Exact Mass 275.07284784 g/mol
Topological Polar Surface Area (TPSA) 92.90 Ų
XlogP 2.00

Synonyms

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158792-24-6
Collismycin B
(E)-4-Methoxy-5-(methylthio)-[2,2'-bipyridine]-6-carbaldehyde oxime
(NE)-N-[(4-methoxy-3-methylsulfanyl-6-pyridin-2-ylpyridin-2-yl)methylidene]hydroxylamine
Collismycin
SCHEMBL2620994
(E)-4-Methoxy-5-(methylthio)-[2,2'-bipyridine]-6-carbaldehydeoxime
CHEMBL1834105
ACon1_001720
SF 2738A
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Collismycin A

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
CHEMBL1293249 Q13887 Kruppel-like factor 5 96.48% 86.33%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.14% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.18% 96.09%
CHEMBL230 P35354 Cyclooxygenase-2 91.05% 89.63%
CHEMBL2535 P11166 Glucose transporter 90.95% 98.75%
CHEMBL2243 O00519 Anandamide amidohydrolase 88.48% 97.53%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 87.96% 96.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.51% 99.17%
CHEMBL4208 P20618 Proteasome component C5 86.19% 90.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.81% 95.56%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 85.01% 89.62%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 84.43% 100.00%
CHEMBL3401 O75469 Pregnane X receptor 83.14% 94.73%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 82.66% 94.00%
CHEMBL2581 P07339 Cathepsin D 82.03% 98.95%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 81.60% 93.10%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 81.25% 96.67%

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 135482271
LOTUS LTS0016053
wikiData Q105183810