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Compound Detail

CHEMBL62729

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O=P1(N(CCCl)CCCl)NC(OO)CCO1.O=S(=O)([O-])CCS.[Na+]

Basic Information

ChEMBL ID CHEMBL62729
Phase Preclinical
Structure Type MOL
InChI Key COELOVMAJOGPDD-UHFFFAOYSA-M
Parent Compound CHEMBL2219746
Active Moiety CHEMBL2219746
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

435.3
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H20Cl2N2NaO7PS2
MW 457.27

Activity Summary

IC50 1 meas. best 4.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
IC50 4.05 4.05 90000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L1210 IC50 = 90000.0 nM 4.05 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

Data from ChEMBL 36 via Core Engine