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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1232653
CHEMBL1232653
Compound Name FLAVIN ADENINE DINUCLEOTIDE
ChEMBL Synonyms Flavin Adenine Dinucleotide | FLAVIN ADENIN DINUCLEOTIDE
Max Phase 0
Trade Names
Molecular Formula C27H33N9O15P2

Additional synonyms for CHEMBL1232653 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/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-1 ...
Download InChI
Standard InChI Key VWWQXMAJTJZDQX-UYBVJOGSSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1232653

Molecule Features

CHEMBL1232653 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov FLAVIN ADENINE DINUCLEOTIDE
The Cochrane Collaboration FLAVIN ADENINE DINUCLEOTIDE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
785.6 785.1571 -2.1 13 376.03 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
22 9 3 24 10 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.13 3.82 -1.34 -5.84 3 53 0.08

Structural Alerts

There are 12 structural alerts for CHEMBL1232653. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VWWQXMAJTJZDQX-UYBVJOGSSA-N
PubChem SID: 50112827

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1232653



ACToR 146-14-5
Brenda 6699 20
ChEBI 16238
DrugBank DB03147
EPA CompTox Dashboard DTXSID4048307
FDA SRS ZC44YTI8KK
Guide to Pharmacology 5184
Human Metabolome Database HMDB0001248
KEGG Ligand C00016
Metabolights MTBLC16238
Nikkaji J39.053D
PDBe FAD
PubChem 643975
PubChem: Thomson Pharma 15969690
SureChEMBL SCHEMBL505095
ZINC ZINC000008215434

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