Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL246171

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1cc(COc2ccc(NC(=O)CC3C(=O)NC(=O)N3C)cc2)c2ccccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL246171
Phase Preclinical
Structure Type MOL
InChI Key LGAMIUMXRWOVGN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

418.4
MW (Da)
3.00
ALogP
5
HBA
2
HBD
100.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N4O4
MW 418.45
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.21

Literature References

PubMed DOI Target Context # Activities
17188863 10.1016/j.bmcl.2006.11.089 Disintegrin and metalloproteinase domain-containing protein 17 1
17188863 10.1016/j.bmcl.2006.11.089 Interstitial collagenase 1
17188863 10.1016/j.bmcl.2006.11.089 72 kDa type IV collagenase 1
17188863 10.1016/j.bmcl.2006.11.089 Matrix metalloproteinase-9 1
17188863 10.1016/j.bmcl.2006.11.089 Collagenase 3 1

Data from ChEMBL 36 via Core Engine