Reumycin

Details

• Internal ID: d4819267-bc69-4b40-b342-d6e15662eee7
• Taxonomy: Organoheterocyclic compounds > Diazines > Pyrimidines and pyrimidine derivatives > Pyrimidones
• IUPAC Name: 6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
• InChI: InChI=1S/C6H5N5O2/c1-11-5(12)3-4(9-6(11)13)10-8-2-7-3/h2H,1H3,(H,9,10,13)
• InChI Key: ZLLAXLPOOMLVRF-UHFFFAOYSA-N
• Popularity: 50 references in papers

Physical and Chemical Properties

• Molecular Formula: C₆H₅N₅O₂
• Molecular Weight: 179.14 g/mol
• Exact Mass: 179.04432442 g/mol
• Topological Polar Surface Area (TPSA): 88.10 Ų
• XlogP: -1.40

Synonyms

• Reumitsin
• Rheumygin
• 5016-18-2
• 1-Demethyltoxoflavine
• 1-demethyltoxoflavin
• rheumycin
• 6-Methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
• 6-Methylpyrimido[5,4-E][1,2,4]triazine-5,7(6H,8H)-dione
• NSC 99733
• NSC99733
• BA 51-090492
• MLS001048964
• 6-Methylpyrimido(5,4-e)-as-triazine-5,7(1H,6H)-dione
• N94S395MFA
• Pyrimido(5,4-e)-as-triazine-5,7(6H,8H)-dione, 6-methyl-
• NSC-99733
• Pyrimido(5,4-e)-as-triazine-5,7(1H,6H)-dione, 6-methyl-
• SMR000008544
• N-1-demethylxanthotricin
• reumicine
• NCIMech_000143
• UNII-N94S395MFA
• Rheumygin;1-Demethyltoxoflavine
• SCHEMBL3231479
• CHEMBL1703515
• BDBM83941
• cid_5351216
• DTXSID90198223
• CHEBI:121196
• ZLLAXLPOOMLVRF-UHFFFAOYSA-N
• HMS1610C13
• HMS2754A09
• BCP31999
• CCG-35339
• AKOS001632553
• AKOS006275055
• NCI60_042239
• PD011796
• Pyrimido[5,7(6H,8H)-dione, 6-methyl-
• VU0419388-1
• C21957
• Q9068429
• 6-methyl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
• 6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-quinone
• 6-methyl-pyrimido-[5,4-e]-as-triazine-5,7(6H,8H)-dione
• 6-Methylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
• 1,5,6,7-TETRAHYDRO-6-METHYLPYRIMIDINO-(5,4-E)TRIAZINE-5,7-DIONE
• 6-METHYLPYRIMIDO(5,4-E)-1,2,4-TRIAZINE-5,7(6H,8H)-DIONE
• PYRIMIDO(5,4-E)-1,2,4-TRIAZINE-5,7(6H,8H)-DIONE, 6-METHYL-
• AZ9

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	98.12%	85.14%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.50%	96.09%
CHEMBL255	P29275	Adenosine A2b receptor	92.77%	98.59%
CHEMBL2581	P07339	Cathepsin D	90.83%	98.95%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	90.63%	94.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	89.50%	99.23%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.35%	95.56%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	87.73%	93.40%
CHEMBL1293277	O15118	Niemann-Pick C1 protein	84.61%	81.11%
CHEMBL3401	O75469	Pregnane X receptor	81.24%	94.73%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 5351216
• LOTUS: LTS0218901
• wikiData: Q9068429