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Compound Detail

CHEMBL439416

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O=C1NC(=S)NC(=O)C1=Cc1ccc(C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL439416
Phase Preclinical
Structure Type MOL
InChI Key VOJCJYUWQHOROQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

276.3
MW (Da)
0.30
ALogP
4
HBA
3
HBD
95.5
PSA (Ų)
0.41
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H8N2O4S
MW 276.27
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.69

Literature References

PubMed DOI Target Context # Activities
18343108 10.1016/j.bmcl.2008.02.066 Unchecked 1
18343108 10.1016/j.bmcl.2008.02.066 Methionine aminopeptidase 1 1

Data from ChEMBL 36 via Core Engine