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Compound Detail

CHEMBL4450700

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O=C(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Nc1ccc([As]2SCCCS2)cc1.[Cl-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4450700
Phase Preclinical
Structure Type MOL
InChI Key RRMMZQGLMLPQAV-UHFFFAOYSA-N
Parent Compound CHEMBL4595097
Active Moiety CHEMBL4595097
6
Targets
12
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

590.6
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H30AsClNOPS2
MW 626.06

Activity Summary

IC50 12 meas. best 6.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NB-4
CHEMBL614188
 IC50 6.29 6.24 510.0 2
SGC-7901
CHEMBL614909
 IC50 6.0 5.665 990.0 2
MCF7
CHEMBL387
 IC50 5.84 5.595 1460.0 2
HEK293
CHEMBL614818
 IC50 5.68 5.505 2080.0 2
HL-60
CHEMBL383
 IC50 5.49 5.47 3230.0 2
HeLa
CHEMBL399
 IC50 5.41 5.225 3910.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NB-4 IC50 = 510.0 nM 6.29 Cytotoxicity against human NB4 cells after 48 hrs by MTT assay 30665675
NB-4 IC50 = 650.0 nM 6.19 Cytotoxicity against human NB4 cells after 24 hrs by MTT assay 30665675
SGC-7901 IC50 = 990.0 nM 6.0 Cytotoxicity against human SGC7901 cells after 48 hrs by MTT assay 30665675
MCF7 IC50 = 1460.0 nM 5.84 Cytotoxicity against human MCF7 cells after 48 hrs by MTT assay 30665675
HEK293 IC50 = 2080.0 nM 5.68 Cytotoxicity against HEK293 cells after 48 hrs by MTT assay 30665675
HL-60 IC50 = 3230.0 nM 5.49 Cytotoxicity against human HL60 cells after 48 hrs by MTT assay 30665675
HL-60 IC50 = 3580.0 nM 5.45 Cytotoxicity against human HL60 cells after 24 hrs by MTT assay 30665675
HeLa IC50 = 3910.0 nM 5.41 Cytotoxicity against human HeLa cells after 48 hrs by MTT assay 30665675
MCF7 IC50 = 4440.0 nM 5.35 Cytotoxicity against human MCF7 cells after 24 hrs by MTT assay 30665675
HEK293 IC50 = 4630.0 nM 5.33 Cytotoxicity against HEK293 cells after 24 hrs by MTT assay 30665675
SGC-7901 IC50 = 4630.0 nM 5.33 Cytotoxicity against human SGC7901 cells after 24 hrs by MTT assay 30665675
HeLa IC50 = 9050.0 nM 5.04 Cytotoxicity against human HeLa cells after 24 hrs by MTT assay 30665675

Literature References

PubMed DOI Target Context # Activities
30665675 10.1016/j.bmc.2019.01.008 NB-4 36
30665675 10.1016/j.bmc.2019.01.008 NON-PROTEIN TARGET 25
30665675 10.1016/j.bmc.2019.01.008 Unchecked 6
30665675 10.1016/j.bmc.2019.01.008 HEK293 2
30665675 10.1016/j.bmc.2019.01.008 MCF7 2
30665675 10.1016/j.bmc.2019.01.008 SGC-7901 2
30665675 10.1016/j.bmc.2019.01.008 HeLa 2
30665675 10.1016/j.bmc.2019.01.008 HL-60 2
30665675 10.1016/j.bmc.2019.01.008 Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrial 1

Data from ChEMBL 36 via Core Engine