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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1534
CHEMBL1534
Compound Name RIBOFLAVIN
ChEMBL Synonyms E101 | Flavaxin | Riboflavin Tetrabutyrate | Vitamin B 2 | Riboflavine | Lactoflavin | Vitamin B2 | Riboflavin | Vitamin G
Max Phase 4 (Approved)
Trade Names Flavaxin | Vitamin G | Riboflavine | Vitamin B 2
Molecular Formula C17H20N4O6

Additional synonyms for CHEMBL1534 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)CO)c2cc1 ...
Download SMILES
Standard InChI InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12( ...
Download InChI
Standard InChI Key AUNGANRZJHBGPY-SCRDCRAPSA-N

Molecule Features

CHEMBL1534 compound icon
Drug Type:Natural Product Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are 2 structural alerts for CHEMBL1534. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL1534

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 CHEMBL1534. 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 0.977
CHEMBL2755 Glutathione reductase Homo sapiens 0.965

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
376.4 376.1383 -0.26 5 155.04 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 5 0 10 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.89 - .1 .09 1 27 0.47

Compound Cross References

ATC A - ALIMENTARY TRACT AND METABOLISM
A11 - VITAMINS
A11H - OTHER PLAIN VITAMIN PREPARATIONS
A11HA - Other plain vitamin preparations
A11HA04 - riboflavin (vit B2)

ChemSpider ChemSpider:AUNGANRZJHBGPY-SCRDCRAPSA-N
PubChem SID: 144204364 SID: 144205267 SID: 144208831 SID: 144213297 SID: 170465063 SID: 17389635

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1534



BindinDB 50362895
ChEBI 17015
DrugBank DB00140
eMolecules 711592
FDA SRS TLM2976OFR
Guide to Pharmacology 6578
Human Metabolome Database HMDB00244
IBM Patent System 5C174B065901F52E6C3A44ECC5594ACD
IBM Patents WO2004089889A2 US4265818 US20060252077 US5410028 EP1753997B1 US4115552 US20100129858 US20070042474 US20070154579 EP1888177A1 EP2187922A2 US6013623 EP2213165A1 EP0329184A2 WO2007025244A2 WO2009076678A1 US3947467 US20090191249 US20050079537 WO2002080872A1 US5789224 US6596280 EP1813274A1 EP1413585A2 EP2209902A2 US6277967 EP1765290B1 US6630157 US5436020 US6828120 WO2010040671A2 US7390339 US20030133996 US20080175925 US20070151522 WO2009051509A1 US20020081302 US5843748 US20070042984 US20020004071 EP2182056A1 WO2006031312A2 EP2043456A1 US20090129980 US20070032447 US20080058428 US20090018641 WO2001082898A1 US5965412 US20060105976 US20060281160 US4281177 US5656296 WO1994016085A2 US20070048296 US20020055171 EP1457114A1 US20040109901 US5061815 WO2003006487A2 WO2000068407A1 EP1906749A2 US7491691 US4533491 EP1290178A2 EP1992697B1 WO2010056836A1 EP0220537A1 WO2006127074A1 US20020042129 US20080305504 US5292665 WO2009152362A2 WO2007099451A1 US7226761 EP1159420A1 US20100055752 US7018617 WO2005039609A2 WO2000055371A1 US7056950 EP1732605A2 US20080268018 US4476147 US20090004745 WO2000038513A1 US20080038686 US20030175714 EP0835662B1 US5928912 EP0601698A1 WO2005083058A1 EP2190450A2 US5645849 WO2006050262A2 EP2180923A2 WO2005103253A1 US7855321 WO2004093841A1 US20080234541
KEGG Ligand C00255
LINCS LSM-4084
Mcule MCULE-5620064525
MolPort MolPort-003-934-329
Nikkaji J3.876H
NMRShiftDB 30095494
PDBe RBF
PubChem 493570
PubChem: Drugs of the Future 24714797
PubChem: Thomson Pharma 14829102
Recon ribflv
Selleck Riboflavin-Vitamin-B2
SureChEMBL SCHEMBL7706
ZINC ZINC02036848

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