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Compound Detail

CHEMBL200385

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CN(CCc1ccc(Oc2ccccc2)cc1)C(=O)NO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL200385
Phase Preclinical
Structure Type MOL
InChI Key DBVIHPVOZIIXAL-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

286.3
MW (Da)
3.05
ALogP
3
HBA
2
HBD
61.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18N2O3
MW 286.33
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.80

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
16242329 10.1016/j.bmcl.2005.09.057 72 kDa type IV collagenase 1
16242329 10.1016/j.bmcl.2005.09.057 Stromelysin-1 1
16242329 10.1016/j.bmcl.2005.09.057 Neutrophil collagenase 1

Data from ChEMBL 36 via Core Engine