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Compound Detail

CHEMBL3361131

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O=C(O)CN(CC(=O)NO)Cc1ccc(Oc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3361131
Phase Preclinical
Structure Type MOL
InChI Key VXBIQAHHAHQJQC-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

330.3
MW (Da)
1.87
ALogP
5
HBA
3
HBD
99.1
PSA (Ų)
0.50
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 C17H18N2O5
MW 330.34
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.84

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
25462250 10.1016/j.ejmech.2014.10.009 Elastase 2
25462250 10.1016/j.ejmech.2014.10.009 Unchecked 1

Data from ChEMBL 36 via Core Engine