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Compound Detail

CHEMBL2096792

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N[C@@H](C(=O)N1CCCC[C@@H]1C(=O)c1nccs1)C1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2096792
Phase Preclinical
Structure Type MOL
InChI Key KZQMSNIMFOTBCW-ZIAGYGMSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

335.5
MW (Da)
2.61
ALogP
5
HBA
1
HBD
76.3
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 C17H25N3O2S
MW 335.47
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.54

Literature References

PubMed DOI Target Context # Activities
15482928 10.1016/j.bmcl.2004.08.057 Unchecked 1

Data from ChEMBL 36 via Core Engine