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Compound Detail

CHEMBL1464312

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CC(=O)Oc1ccc2oc(/C=C/N(C)C)c([N+](=O)[O-])c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1464312
Phase Preclinical
Structure Type MOL
InChI Key FUEGUVHMUOHCNU-VOTSOKGWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

290.3
MW (Da)
2.80
ALogP
6
HBA
0
HBD
85.8
PSA (Ų)
0.37
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14N2O5
MW 290.28
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.26

Activity Summary

IC50 1 meas. best 4.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Matrix metalloproteinase-14
CHEMBL3869
 IC50 4.25 4.25 56800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Matrix metalloproteinase-14 IC50 = 56800.0 nM 4.25 PubChem BioAssay. Dose Response confirmation of uHTS hits for a small molecule i... -

Data from ChEMBL 36 via Core Engine