Ammosamide B

Details

• Internal ID: 9a2ce1e0-8a18-46b1-b774-990e04be39ae
• Taxonomy: Organoheterocyclic compounds > Quinolines and derivatives > Quinoline carboxamides
• IUPAC Name: 9,11-diamino-10-chloro-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide
• InChI: InChI=1S/C12H10ClN5O2/c1-18-10-5-3(12(18)20)2-4(11(16)19)17-9(5)7(14)6(13)8(10)15/h2H,14-15H2,1H3,(H2,16,19)
• InChI Key: HWRGTOQGZGTNID-UHFFFAOYSA-N
• Popularity: 14 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₀ClN₅O₂
• Molecular Weight: 291.69 g/mol
• Exact Mass: 291.0523023 g/mol
• Topological Polar Surface Area (TPSA): 128.00 Ų
• XlogP: -0.20

Synonyms

• CHEMBL1945406
• 6,8-Diamino-7-Chloro-1-Methyl-2-Oxo-1,2-Dihydropyrrolo[4,3,2-De]quinoline-4-Carboxamide
• SCHEMBL261070
• BDBM50363366
• Q27466968
• 9,11-diamino-10-chloro-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide
• UXH

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL3959	P16083	Quinone reductase 2	61 nM	IC50	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.73%	96.09%
CHEMBL3864	Q06124	Protein-tyrosine phosphatase 2C	93.43%	94.42%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	90.90%	89.34%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.75%	95.56%
CHEMBL2581	P07339	Cathepsin D	88.94%	98.95%
CHEMBL4208	P20618	Proteasome component C5	88.58%	90.00%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	84.95%	93.65%
CHEMBL3384	Q16512	Protein kinase N1	84.67%	80.71%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	84.38%	90.71%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	84.27%	93.03%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	84.10%	91.11%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.48%	86.33%
CHEMBL2056	P21728	Dopamine D1 receptor	81.39%	91.00%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	81.29%	96.95%
CHEMBL2378	P30307	Dual specificity phosphatase Cdc25C	80.56%	96.67%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	80.50%	94.00%
CHEMBL2335	P42785	Lysosomal Pro-X carboxypeptidase	80.49%	100.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	80.03%	94.45%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 25113669
• LOTUS: LTS0167810
• wikiData: Q27466968