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Compound Detail

CHEMBL1079009

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NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)CS)C(N)=O

Basic Information

ChEMBL ID CHEMBL1079009
Phase Preclinical
Structure Type MOL
InChI Key QFBQBKZNYOEEFW-YUMQZZPRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

306.4
MW (Da)
-2.51
ALogP
6
HBA
6
HBD
147.5
PSA (Ų)
0.19
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H22N4O4S
MW 306.39
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 0.33

Literature References

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

Data from ChEMBL 36 via Core Engine