RIBOFLAVIN

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC S01XA26
UNII TLM2976OFR
EPA CompTox DTXSID8021777

Structure

InChI Key AUNGANRZJHBGPY-SCRDCRAPSA-N
Smiles Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C
InChI
InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H20N4O6
Molecular Weight 376.37
AlogP -1.72
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 5.0
Polar Surface Area 161.56
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 27.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 4
- - - - 223
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 72.6-75.9
Unclassified protein
- - 5-46 350 57-78
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 72.6-75.9
Escherichia coli
- - - - 57-78
Gallus gallus
- - 5-46 350 -

Cross References

Resources Reference
ChEBI 17015
ChEMBL CHEMBL1534
DrugBank DB00140
DrugCentral 2834
FDA SRS TLM2976OFR
Human Metabolome Database HMDB0000244
Guide to Pharmacology 6578
KEGG C00255
PDB RBF
PharmGKB PA451242
PubChem 493570
SureChEMBL SCHEMBL7706
ZINC ZINC000002036848
CONTENTS