RIBOFLAVIN

Search structure
Synonyms:
Status: Approved (1993)
Entry Type: Small molecule
Molecule Category: Parent
ATC: S01XA26
UNII: TLM2976OFR

Structure
InChI Key AUNGANRZJHBGPY-SCRDCRAPSA-N
Smile 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(%)
Enzyme Transferase
- 8800 - - -
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
- - - - 73
Unclassified protein
- 18000 5-46 350 57-78

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetic Neuropathies 3 D003929 ClinicalTrials
Keratoconus 3 D007640 ClinicalTrials
Hematologic Diseases 3 D006402 ClinicalTrials
Refractive Errors 2 D012030 ClinicalTrials
Psoriasis 2 D011565 ClinicalTrials
Acidosis, Lactic 2 D000140 ClinicalTrials
Refractive Errors 2 D012030 ClinicalTrials
Brain Concussion 2 D001924 ClinicalTrials
Myopia 2 D009216 ClinicalTrials
Chronic Pain 2 D059350 ClinicalTrials
Heart Failure 2 D006333 ClinicalTrials
Myocardial Infarction 2 D009203 ClinicalTrials
Multiple Sclerosis 1 D009103 ClinicalTrials
Hyperopia 1 D006956 ClinicalTrials
Uterine Cervical Neoplasms 1 D002583 ClinicalTrials

Related Entries

Scaffolds

Salt
Salt
Mixture
Mixture
Mixture

Cross References

Resources Reference
CAS NUMBER 83-88-5
ChEBI 17015
ChEMBL CHEMBL1534
DrugBank DB00140
DrugCentral 2834
EPA CompTox DTXSID8021777
FDA SRS TLM2976OFR
Human Metabolome Database HMDB0000244
Guide to Pharmacology 6578
KEGG C00255
PDB RBF
PharmGKB PA451242
PubChem 493570
SureChEMBL SCHEMBL7706
ZINC ZINC000002036848
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