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Compound Detail

CHEMBL583391

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CCC(=O)Nc1nnc(CC)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL583391
Phase Preclinical
Structure Type MOL
InChI Key BVQWQLKHBYNOIX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

185.2
MW (Da)
1.45
ALogP
4
HBA
1
HBD
54.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H11N3OS
MW 185.25
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -3.18

Literature References

PubMed DOI Target Context # Activities
19502068 10.1016/j.bmc.2009.05.039 Radical scavenging activity 2
21044846 10.1016/j.bmc.2010.09.062 Endochitinase A1 2

Data from ChEMBL 36 via Core Engine