JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.

྾

6-Nitro-4-oxo-1,4-dihydro-quinoline-2-carboxylic acid

ID: ALA441504

Chembl Id: CHEMBL441504

Cas Number: 134785-84-5

PubChem CID: 676669

Max Phase: Preclinical

Molecular Formula: C10H6N2O5

Molecular Weight: 234.17

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: O=C(O)c1cc(O)c2cc([N+](=O)[O-])ccc2n1

Standard InChI: InChI=1S/C10H6N2O5/c13-9-4-8(10(14)15)11-7-2-1-5(12(16)17)3-6(7)9/h1-4H,(H,11,13)(H,14,15)

Standard InChI Key: KQFRZQHCZNAUOS-UHFFFAOYSA-N

NGFR Tclin Low affinity neurotrophin receptor p75NTR (32 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Grin1 Glutamate NMDA receptor (6467 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Gria2 Glutamate receptor ionotropic, AMPA (2103 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Grik1 Glutamate receptor ionotropic, kainate (722 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Natural Product: No	Oral: No	Chemical Probe: No	Parenteral: No
Molecule Type: Small molecule	Topical: No	First In Class: No	Black Box: No
Chirality: No	Availability: No	Prodrug: No

MESH ID	MESH Heading	EFO IDs	EFO Terms	Max Phase for Indication	References

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Molecular Weight: 234.17	Molecular Weight (Monoisotopic): 234.0277	AlogP: 1.55	#Rotatable Bonds: 2
Polar Surface Area: 113.56	Molecular Species: ACID	HBA: 5	HBD: 2
#RO5 Violations: ┄	HBA (Lipinski): 7	HBD (Lipinski): 2	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: 0.64	CX Basic pKa: 4.10	CX LogP: 1.07	CX LogD: -1.65
Aromatic Rings: 2	Heavy Atoms: 17	QED Weighted: 0.60	Np Likeness Score: -0.93

1. Leeson PD, Baker R, Carling RW, Curtis NR, Moore KW, Williams BJ, Foster AC, Donald AE, Kemp JA, Marshall GR.. (1991) Kynurenic acid derivatives. Structure-activity relationships for excitatory amino acid antagonism and identification of potent and selective antagonists at the glycine site on the N-methyl-D-aspartate receptor., 34 (4): [PMID:1826744] [10.1021/jm00108a002]
2. Jaen JC, Laborde E, Bucsh RA, Caprathe BW, Sorenson RJ, Fergus J, Spiegel K, Marks J, Dickerson MR, Davis RE.. (1995) Kynurenic acid derivatives inhibit the binding of nerve growth factor (NGF) to the low-affinity p75 NGF receptor., 38 (22): [PMID:7473570] [10.1021/jm00022a008]

Source(1):