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

྾

5-(5-Fluoro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-carboxylic acid (Ribofuranuronic acid)

ID: ALA2368643

Chembl Id: CHEMBL2368643

PubChem CID: 21765593

Max Phase: Preclinical

Molecular Formula: C9H9FN2O6

Molecular Weight: 260.18

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Synonyms: Ribofuranuronic Acid | CHEMBL2368643

Canonical SMILES: O=C(O)[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O

Standard InChI: InChI=1S/C9H9FN2O6/c10-3-2-12(9(17)11-7(3)14)5-1-4(13)6(18-5)8(15)16/h2,4-6,13H,1H2,(H,15,16)(H,11,14,17)/t4-,5+,6-/m0/s1

Standard InChI Key: OHKLEIJCOJXRTB-JKUQZMGJSA-N

C170 (10 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: 260.18	Molecular Weight (Monoisotopic): 260.0445	AlogP: -1.59	#Rotatable Bonds: 2
Polar Surface Area: 121.62	Molecular Species: ACID	HBA: 6	HBD: 3
#RO5 Violations: ┄	HBA (Lipinski): 8	HBD (Lipinski): 3	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: 3.36	CX Basic pKa: ┄	CX LogP: -0.99	CX LogD: -4.49
Aromatic Rings: 1	Heavy Atoms: 18	QED Weighted: 0.59	Np Likeness Score: 0.30

1. Henn TF, Garnett MC, Chhabra SR, Bycroft BW, Baldwin RW.. (1993) Synthesis of 2'-deoxyuridine and 5-fluoro-2'-deoxyuridine derivatives and evaluation in antibody targeting studies., 36 (11): [PMID:8496926] [10.1021/jm00063a007]
2. Schinazi RF, Chen MS, Prusoff WH.. (1978) Synthesis and biological activities of some uronic acids, uronates, uronamides, and urononitriles of pyrimidine nucleosides., 21 (11): [PMID:214555] [10.1021/jm00209a010]
3. Schinazi RF, Chen MS, Prusoff WH.. (1978) Synthesis and biological activities of some uronic acids, uronates, uronamides, and urononitriles of pyrimidine nucleosides., 21 (11): [PMID:214555] [10.1021/jm00209a010]

Source(1):