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Compound Detail

CHEMBL2368643

RIBOFURANURONIC ACID
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O=C(O)[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2368643
Name RIBOFURANURONIC ACID
Phase Preclinical
Structure Type MOL
InChI Key OHKLEIJCOJXRTB-JKUQZMGJSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

260.2
MW (Da)
-1.59
ALogP
6
HBA
3
HBD
121.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H9FN2O6
MW 260.18
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.30

Activity Summary

IC50 1 meas. best 4.39
Ki 1 meas. best 4.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
C170
CHEMBL614705
 IC50 4.39 4.39 41000.0 1
Unchecked
CHEMBL612545
 Ki 4.01 4.01 98000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
C170 IC50 = 41000.0 nM 4.39 Tested for cytotoxicity against C170 colorectal carcinoma cell line by [75Se]sel... 8496926
Unchecked Ki = 98000.0 nM 4.01 Competitive inhibition of HSV-1 pyrimidine deoxythymidine kinase using 2-[14C]de... 214555

Literature References

PubMed DOI Target Context # Activities
214555 10.1021/jm00209a010 Unchecked 3
8496926 10.1021/jm00063a007 C170 2
214555 10.1021/jm00209a010 No relevant target 1

Data from ChEMBL 36 via Core Engine