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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1234613
CHEMBL1234613
Compound Name NADIDE
ChEMBL Synonyms NAD+ | DPN | DIPHOSPHOPYRIDINE NUCLEOTIDE | NICOTINAMIDE ADENINE DINUCLEOTIDE | NAD | Nicotinamide Adinine Dinucleotide | CO-I | NADIDE
Max Phase 0
Trade Names
Molecular Formula C21H27N7O14P2

Additional synonyms for CHEMBL1234613 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@ ...
Download SMILES
Standard InChI InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21 ...
Download InChI
Standard InChI Key BAWFJGJZGIEFAR-NNYOXOHSSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1234613

Molecule Features

CHEMBL1234613 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 NADIDE
The Cochrane Collaboration NADIDE

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
663.4 663.1091 -3.65 11 321.09 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
18 7 3 21 9 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.13 3.82 -7.24 -6.64 3 44 0.08

Structural Alerts

There are 9 structural alerts for CHEMBL1234613. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BAWFJGJZGIEFAR-NNYOXOHSSA-N
PubChem SID: 144203872

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1234613



ACToR 159929-29-0
BindingDB 213227
ChEBI 44215
DrugBank DB14128
DrugCentral 4140
eMolecules 5851218
EPA CompTox Dashboard DTXSID2045236
FDA SRS 0U46U6E8UK
Guide to Pharmacology 2451
Metabolights MTBLC44215
MolPort MolPort-003-666-238
PDBe NAJ NAD
PubChem 10897651 5288979 73415790 5892
PubChem: Thomson Pharma 14912780 14790299 15945116
Selleck nad
SureChEMBL SCHEMBL131544

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