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Compound Detail

CHEMBL304024

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O=P(O)(N(CCCl)CCCl)N(CCCl)CCCl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL304024
Phase Preclinical
Structure Type MOL
InChI Key GKHCGXABHZLRSB-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

346.0
MW (Da)
2.65
ALogP
1
HBA
1
HBD
43.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H17Cl4N2O2P
MW 346.02
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness -0.01

Activity Summary

IC50 2 meas. best 4.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
V79
CHEMBL614074
 IC50 4.37 4.37 42600.0 1
L1210
CHEMBL386
 IC50 4.01 4.01 97000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
V79 IC50 = 42600.0 nM 4.37 In vitro cytotoxicity against V-79 chinese hamster lung fibroblasts (3 hr drug e... 15239662
L1210 IC50 = 97000.0 nM 4.01 Concentration required to reduce the viability of L1210 cells by 50% after 1-h i... 1992116

Literature References

PubMed DOI Target Context # Activities
1992116 10.1021/jm00105a030 L1210 1
15239662 10.1021/jm0304764 V79 1

Data from ChEMBL 36 via Core Engine