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Compound Detail

CHEMBL1469043

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CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O

Basic Information

ChEMBL ID CHEMBL1469043
Phase Preclinical
Structure Type MOL
InChI Key CKRIVDIJIWXCAG-MDWZMJQESA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

369.3
MW (Da)
2.16
ALogP
6
HBA
2
HBD
122.0
PSA (Ų)
0.36
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 C18H15N3O6
MW 369.33
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.23

Activity Summary

EC50 2 meas. best 4.44
IC50 1 meas. best 5.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.17 5.17 6780.0 1
Zinc finger protein mex-5
CHEMBL1293319
EC50 4.44 4.44 36176.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine