Makaluvic acid A

Details

• Internal ID: 0050bb90-5e8d-4ed8-9b7a-144a020b6352
• Taxonomy: Organoheterocyclic compounds > Pyrrolopyridines
• IUPAC Name: 5-methyl-4-oxo-6,7-dihydro-2H-pyrrolo[3,4-c]pyridine-3-carboxylic acid
• SMILES (Canonical): CN1CCC2=CNC(=C2C1=O)C(=O)O
• SMILES (Isomeric): CN1CCC2=CNC(=C2C1=O)C(=O)O
• InChI: InChI=1S/C9H10N2O3/c1-11-3-2-5-4-10-7(9(13)14)6(5)8(11)12/h4,10H,2-3H2,1H3,(H,13,14)
• InChI Key: PTBJVLGXDFOMFM-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₁₀N₂O₃
• Molecular Weight: 194.19 g/mol
• Exact Mass: 194.06914219 g/mol
• Topological Polar Surface Area (TPSA): 73.40 Ų
• XlogP: 0.10

Synonyms

• CHEMBL463010
• 5-methyl-4-oxo-6,7-dihydro-2H-pyrrolo[3,4-c]pyridine-3-carboxylic acid

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.51%	96.09%
CHEMBL2581	P07339	Cathepsin D	95.82%	98.95%
CHEMBL4208	P20618	Proteasome component C5	92.57%	90.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.46%	95.56%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	86.50%	93.03%
CHEMBL217	P14416	Dopamine D2 receptor	86.21%	95.62%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	85.46%	93.00%
CHEMBL4040	P28482	MAP kinase ERK2	85.30%	83.82%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	84.71%	94.45%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.86%	99.23%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.87%	86.33%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 10726460
• LOTUS: LTS0057520
• wikiData: Q105214535