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

CHEMBL142479

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
O=[N+]([O-])c1ccc2c(c1)NP(=O)(N(CCCl)CCCl)OC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL142479
Phase Preclinical
Structure Type MOL
InChI Key VSIHRFPBBCZTCY-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names

Molecular Properties

354.1
MW (Da)
3.42
ALogP
4
HBA
1
HBD
84.7
PSA (Ų)
0.36
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 C11H14Cl2N3O4P
MW 354.13
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.63

Activity Summary

IC50 3 meas. best 5.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ADMET
CHEMBL612558
 IC50 5.52 5.52 3000.0 1
SK-OV-3
CHEMBL614925
 IC50 4.26 4.26 55000.0 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.2167 hr Escherichia coli

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
ADMET IC50 = 3000.0 nM 5.52 Inhibitory activity against V79 (chinese hamster fibroblast) cell line with Esch... 14584930
SK-OV-3 IC50 = 55000.0 nM 4.26 Inhibitory activity against SKOV3 (human ovarian carcinoma) cell line with Esche... 14584930

Literature References

PubMed DOI Target Context # Activities
14584930 10.1021/jm034133h ADMET 4
14584930 10.1021/jm034133h Unchecked 3
14584930 10.1021/jm034133h SK-OV-3 2
29649739 10.1016/j.ejmech.2018.04.001 Unchecked 2

Data from ChEMBL 36 via Core Engine