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Compound Detail

CHEMBL2376185

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NC(=S)Nn1ccc2c(c1=O)C(=O)OC21CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2376185
Phase Preclinical
Structure Type MOL
InChI Key BGQLITGVQYRKHN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

293.4
MW (Da)
0.97
ALogP
5
HBA
2
HBD
86.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H15N3O3S
MW 293.35
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.19

Literature References

PubMed DOI Target Context # Activities
23541650 10.1016/j.bmcl.2013.02.079 Unchecked 3
23541650 10.1016/j.bmcl.2013.02.079 Cathepsin B 1

Data from ChEMBL 36 via Core Engine