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Compound Detail

CHEMBL574699

BARBITURIC ACID
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O=C1CC(=O)NC(=O)N1

Basic Information

ChEMBL ID CHEMBL574699
Name BARBITURIC ACID
Phase Preclinical
Structure Type MOL
InChI Key HNYOPLTXPVRDBG-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

128.1
MW (Da)
-1.26
ALogP
3
HBA
2
HBD
75.3
PSA (Ų)
0.40
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C4H4N2O3
MW 128.09
Aromatic Rings 0
Heavy Atoms 9
NP-Likeness -0.20

Activity Summary

IC50 2 meas. best 3.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 3.0 2.57 1000000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-007-9072-1 Rattus norvegicus 13
19552984 10.1016/j.ejmech.2009.05.023 Tyrosinase 2
533876 10.1021/jm00197a005 No relevant target 2
37399710 10.1016/j.ejmech.2023.115604 Unchecked 2
24857777 10.1016/j.bmc.2014.04.060 Tyrosinase 1
30565923 10.1021/acs.jmedchem.8b01153 No relevant target 1
36105338 10.1021/acsmedchemlett.2c00256 Glutaminyl-peptide cyclotransferase 1

Data from ChEMBL 36 via Core Engine