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Compound Detail

CHEMBL1079217

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NC(=O)C[C@H](NC(=O)CS)C(=O)N[C@@H](CC(=O)O)C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1079217
Phase Preclinical
Structure Type MOL
InChI Key CWLORAOLDLRSOP-WHFBIAKZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

320.3
MW (Da)
-3.28
ALogP
6
HBA
6
HBD
181.7
PSA (Ų)
0.24
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H16N4O6S
MW 320.33
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 0.11

Literature References

PubMed DOI Target Context # Activities
19773163 10.1016/j.bmcl.2009.08.099 Elastase 1

Data from ChEMBL 36 via Core Engine