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Compound Detail

CHEMBL1080943

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

Basic Information

ChEMBL ID CHEMBL1080943
Phase Preclinical
Structure Type MOL
InChI Key RTKUWZHOIPXGQV-YUMQZZPRSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

291.4
MW (Da)
-1.59
ALogP
5
HBA
5
HBD
121.5
PSA (Ų)
0.35
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H21N3O4S
MW 291.37
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness 0.09

Activity Summary

Ki 1 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine