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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL566
CHEMBL566
Compound Name URACIL
ChEMBL Synonyms BMS-205603-01 | SQ-8493 | SQ-7726 | SQ-6201 | Uracil
Max Phase 0
Trade Names
Molecular Formula C4H4N2O2

Additional synonyms for CHEMBL566 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1NC=CC(=O)N1
Standard InChI InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
Standard InChI Key ISAKRJDGNUQOIC-UHFFFAOYSA-N

Molecule Features

CHEMBL566 compound icon
Drug Type:Natural Product Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

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 1 structural alerts for CHEMBL566. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL566

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
112.1 112.0273 -1.01 0 58.2 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.95 - -1.04 -1.08 0 8 0.42

Compound Cross References

ChemSpider ChemSpider:ISAKRJDGNUQOIC-UHFFFAOYSA-N
PubChem SID: 144208221 SID: 51088798 SID: 70371
Wikipedia Uracil

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL566



ACToR 138285-60-6 16908-84-2 24897-50-5
ChEBI 17568
DrugBank DB03419
eMolecules 3726817 514222
FDA SRS 56HH86ZVCT
Human Metabolome Database HMDB00300
IBM Patent System 62E0882F413BF6C2BA49C845DAA8DBED D32F8787D0C093B55DA6386326AC06E7
IUPHAR 4560
KEGG Ligand C00106
Mcule MCULE-1147953020
MolPort MolPort-000-514-602 MolPort-001-641-045
Nikkaji J4.842I
NMRShiftDB 10016331
PDBe URA
PubChem 1174
PubChem: Thomson Pharma 16250541 22425032 14747492
Recon ura
Selleck uracil
SureChEMBL SCHEMBL8235
ZINC ZINC00895045

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