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Compound Detail

CHEMBL1077447

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

Basic Information

ChEMBL ID CHEMBL1077447
Phase Preclinical
Structure Type MOL
InChI Key FCMVSTNHLGILRZ-YUMQZZPRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
-2.38
ALogP
6
HBA
5
HBD
161.4
PSA (Ų)
0.28
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H20N4O5S
MW 332.38
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 0.26

Literature References

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

Data from ChEMBL 36 via Core Engine