ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15913
CHEMBL15913
Compound Name CYTOSINE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C4H5N3O

Additional synonyms for CHEMBL15913 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC1=NC(=O)NC=C1
Standard InChI InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)
Standard InChI Key OPTASPLRGRRNAP-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL15913

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
111.1 111.0433 -0.96 0 67.48 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 4 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.34 4.4 -1.73 -1.73 0 8 0.42

Structural Alerts

There are no structural alerts for CHEMBL15913

Compound Cross References

ChemSpider ChemSpider:OPTASPLRGRRNAP-UHFFFAOYSA-N
PubChem SID: 144212456 SID: 56322619
Wikipedia Cytosine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15913



ACToR 118511-36-7
Brenda 489
ChEBI 16040
eMolecules 1971016 7351983 496404
EPA CompTox Dashboard DTXSID4044456
FDA SRS 8J337D1HZY
Guide to Pharmacology 8490
Human Metabolome Database HMDB00630
IBM Patent System 6072C946BAE26AEDD812F6094AA352D6
KEGG Ligand C00380
Mcule MCULE-4426252594
Metabolights MTBLC16040
MolPort MolPort-003-987-170 MolPort-004-758-698 MolPort-001-759-997
Nikkaji J9.343B
NMRShiftDB 10016336 20096819
PDBe CYT
PubChem 597
PubChem: Thomson Pharma 15412737 16918494 15297057
Recon csn
SureChEMBL SCHEMBL4059
ZINC ZINC000000895210

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