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Compound Detail

CHEMBL1414808

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CCCNC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1414808
Phase Preclinical
Structure Type MOL
InChI Key QKHNICJTZLIACS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

404.8
MW (Da)
3.16
ALogP
6
HBA
1
HBD
115.6
PSA (Ų)
0.31
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 C19H17ClN2O6
MW 404.81
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.64

Activity Summary

EC50 1 meas. best 4.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 4.33 4.33 47100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 47100.0 nM 4.33 PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits that enhance the survi... -

Data from ChEMBL 36 via Core Engine