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Compound Detail

CHEMBL181520

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CC(=O)OCc1cccc(C(=O)Nc2nccs2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL181520
Phase Preclinical
Structure Type MOL
InChI Key FNQCJQCHCULWIQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

277.3
MW (Da)
1.85
ALogP
6
HBA
1
HBD
81.2
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H11N3O3S
MW 277.31
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.89

Literature References

PubMed DOI Target Context # Activities
15664828 10.1016/j.bmcl.2004.11.034 Methionine aminopeptidase 1
15664828 10.1016/j.bmcl.2004.11.034 Methionine aminopeptidase 1 1

Data from ChEMBL 36 via Core Engine