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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3989697
CHEMBL3989697
Compound Name RIBOFLAVIN 5'-PHOSPHATE SODIUM
ChEMBL Synonyms RIBOFLAVIN SODIUM PHOSPHATE | RIBOFLAVIN 5'-PHOSPHATE SODIUM | PHOTREXA
Max Phase 4 (Approved)
Trade Names PHOTREXA
Molecular Formula C17H24N4NaO11P

Additional synonyms for CHEMBL3989697 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O.O.[Na+].Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H]( ...
Download SMILES
Standard InChI InChI=1S/C17H21N4O9P.Na.2H2O/c1-7-3-9-10(4-8(7)2)21(15-13(18 ...
Download InChI
Standard InChI Key LQVGUKOCMOKKJU-QPVGXXQTSA-M

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL3989697

Molecule Features

CHEMBL3989697 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

Clinical Data

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

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL3989697. 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 0.946
CHEMBL2755 Glutathione reductase Homo sapiens 0.945
CHEMBL2169736 Tyrosyl-DNA phosphodiesterase 2 Homo sapiens 0.459

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
456.4 456.1046 -1.61 7 208.09 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 6 1 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 0.18

Structural Alerts

There are 7 structural alerts for CHEMBL3989697. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LQVGUKOCMOKKJU-QPVGXXQTSA-M
DailyMed riboflavin 5'-phosphate sodium

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3989697



FDA SRS 20RD1DZH99
MolPort MolPort-016-582-614
PubChem 23687712

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/LQVGUKOCMOKKJU-QPVGXXQTSA-M spacer
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