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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201794
CHEMBL1201794
Compound Name RIBOFLAVIN 5'-PHOSPHATE
ChEMBL Synonyms E101a | RIBOFLAVIN SODIUM PHOSPHATE | RIBOFLAVIN 5'-PHOSPHATE SODIUM | Riboflavin 5'-phosphate | E106
Max Phase 4 (Approved)
Trade Names
Molecular Formula C17H21N4O9P

Additional synonyms for CHEMBL1201794 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)( ...
Download SMILES
Standard InChI InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25 ...
Download InChI
Standard InChI Key FVTCRASFADXXNN-SCRDCRAPSA-N

Sources

  • Orange Book
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1201794

Molecule Features

CHEMBL1201794 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:Y Topical:Y Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Unknown Not Available PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
CROHN DISEASED003424EFO:0000384CROHN'S DISEASE3ClinicalTrials

Clinical Data

ClinicalTrials.gov RIBOFLAVIN 5'-PHOSPHATE
The Cochrane Collaboration RIBOFLAVIN 5'-PHOSPHATE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1201794. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5990 Breast cancer type 1 susceptibility protein Homo sapiens 1.000
CHEMBL6005 Serine/threonine-protein kinase 33 Homo sapiens 0.965
CHEMBL2755 Glutathione reductase Homo sapiens 0.906

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
456.3 456.1046 -0.33 7 211.38 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 6 2 13 6 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.84 - -1.75 -6.01 1 31 0.29

Structural Alerts

There are 7 structural alerts for CHEMBL1201794. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FVTCRASFADXXNN-SCRDCRAPSA-N
Wikipedia Flavin_mononucleotide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201794



ACToR 146-17-8
BindingDB 50421345
Brenda 6024 113250 10904 94918 56 44767
ChEBI 17621
DrugBank DB03247
DrugCentral 2374
EPA CompTox Dashboard DTXSID8023559
FDA SRS 7N464URE7E
Guide to Pharmacology 5185
Human Metabolome Database HMDB0001520
KEGG Ligand C00061
Metabolights MTBLC17621
Nikkaji J30.175B
PDBe FMN
PubChem 643976
PubChem: Thomson Pharma 14857921
SureChEMBL SCHEMBL41133
ZINC ZINC000003831425

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/FVTCRASFADXXNN-SCRDCRAPSA-N spacer
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