Compound Detail

CHEMBL38761

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O=[Se](=O)(CCCl)c1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL38761
Phase	Preclinical
Structure Type	MOL
InChI Key	AONQHFVNYDVVAC-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

251.6

MW (Da)

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C8H9ClO2Se
MW	251.57

Activity Summary

IC50 42 meas. best 7.22

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Homo sapiens CHEMBL372	IC50	7.22	6.44	60.0	2
SK-MES-1 CHEMBL614923	IC50	6.82	6.82	150.0	1
CCRF-CEM CHEMBL382	IC50	6.82	6.585	150.0	2
RPMI-8226 CHEMBL614882	IC50	6.35	6.35	450.0	1
MOLT-4 CHEMBL614177	IC50	6.35	6.35	450.0	1
CCRF-SB CHEMBL614542	IC50	6.35	6.35	450.0	1
K562 CHEMBL385	IC50	6.35	6.35	450.0	1
L1210 CHEMBL386	IC50	6.26	6.26	550.0	1
Hs-578T CHEMBL614645	IC50	6.05	6.05	900.0	1
COLO 320 CHEMBL614257	IC50	5.92	5.78	1200.0	2
HT-29 CHEMBL384	IC50	5.72	5.72	1900.0	1
HCT-15 CHEMBL612263	IC50	5.64	5.64	2300.0	1
COLO 205 CHEMBL614561	IC50	5.64	5.64	2300.0	1
HCC 2998 CHEMBL613855	IC50	5.64	5.64	2300.0	1
HCT-116 CHEMBL394	IC50	5.64	5.64	2300.0	1
KM-20L2 CHEMBL614791	IC50	5.64	5.64	2300.0	1
KM12 CHEMBL614709	IC50	5.64	5.64	2300.0	1
UACC-62 CHEMBL614610	IC50	5.43	5.43	3700.0	1
LOX IMVI CHEMBL614096	IC50	5.43	5.43	3700.0	1
HOP-62 CHEMBL614643	IC50	5.37	5.37	4300.0	1
HOP-18 CHEMBL614809	IC50	5.37	5.37	4300.0	1
HOP-19 CHEMBL614832	IC50	5.37	5.37	4300.0	1
NCI-H23 CHEMBL614997	IC50	5.37	5.37	4300.0	1
NCI-H460 CHEMBL396	IC50	5.37	5.37	4300.0	1
UO-31 CHEMBL614388	IC50	5.34	5.34	4600.0	1
A498 CHEMBL614516	IC50	5.34	5.34	4600.0	1
SN12C CHEMBL614054	IC50	5.34	5.34	4600.0	2
SNB-19 CHEMBL614164	IC50	5.22	5.22	6000.0	1
SF-539 CHEMBL614860	IC50	5.22	5.22	6000.0	1
SF-295 CHEMBL614908	IC50	5.22	5.22	6000.0	1
SF-268 CHEMBL613977	IC50	5.22	5.22	6000.0	1
SNB-78 CHEMBL612543	IC50	5.22	5.22	6000.0	1
TE-671 CHEMBL615012	IC50	5.22	5.22	6000.0	1
U-251 CHEMBL615022	IC50	5.22	5.22	6000.0	1
OVCAR-5 CHEMBL614214	IC50	5.11	5.11	7800.0	1
A2780 CHEMBL614004	IC50	5.11	5.11	7800.0	1
IGROV-1 CHEMBL613984	IC50	5.11	5.11	7800.0	1
SK-OV-3 CHEMBL614925	IC50	5.11	5.11	7800.0	1

Pharmacokinetic Data

Parameter	Value	Units	Species
T1/2	8.37	hr	-

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Homo sapiens	IC50	=	60.0	nM	7.22	In vitro cytotoxicity was determined against SKLU human non-small cell lung carc...	2342050
SK-MES-1	IC50	=	150.0	nM	6.82	In vitro cytotoxicity was determined against SKMES human non-small cell lung car...	2342050
CCRF-CEM	IC50	=	150.0	nM	6.82	In vitro growth inhibition against CCRF-CEM human lymphoblast cells	2342050
CCRF-CEM	IC50	=	450.0	nM	6.35	In vitro cytotoxicity was determined against CCRF-CEM human leukemia cell line u...	2342050
CCRF-SB	IC50	=	450.0	nM	6.35	In vitro cytotoxicity was determined against CCRF-SB human leukemia cell line us...	2342050
MOLT-4	IC50	=	450.0	nM	6.35	In vitro cytotoxicity was determined against MOLT-4 human leukemia cell line usi...	2342050
RPMI-8226	IC50	=	450.0	nM	6.35	In vitro cytotoxicity was determined against RPMI 8226 human leukemia cell line ...	2342050
K562	IC50	=	450.0	nM	6.35	In vitro cytotoxicity was determined against K-562 human leukemia cell line usin...	2342050
L1210	IC50	=	550.0	nM	6.26	In vitro growth inhibition against L1210 murine leukemia cells	2342050
Hs-578T	IC50	=	900.0	nM	6.05	In vitro cytotoxicity was determined against Hs 578.T human breast tumor cell li...	2342050
COLO 320	IC50	=	1200.0	nM	5.92	In vitro cytotoxicity was determined against COLO 320 human colon tumor cell lin...	2342050
HT-29	IC50	=	1900.0	nM	5.72	In vitro cytotoxicity was determined against HT-29 human colon tumor cell line u...	2342050
Homo sapiens	IC50	=	2200.0	nM	5.66	In vitro cytotoxicity was determined against CALU 3 human non-small cell lung ca...	2342050
COLO 320	IC50	=	2300.0	nM	5.64	In vitro cytotoxicity was determined against COLO 320 DM human colon tumor cell ...	2342050
KM12	IC50	=	2300.0	nM	5.64	In vitro cytotoxicity was determined against KM12 human colon tumor cell line us...	2342050
KM-20L2	IC50	=	2300.0	nM	5.64	In vitro cytotoxicity was determined against KM20L2 human colon tumor cell line ...	2342050
HCC 2998	IC50	=	2300.0	nM	5.64	In vitro cytotoxicity was determined against HCC 2998 human colon tumor cell lin...	2342050
COLO 205	IC50	=	2300.0	nM	5.64	In vitro cytotoxicity was determined against COLO-205 human colon tumor cell lin...	2342050
HCT-15	IC50	=	2300.0	nM	5.64	In vitro cytotoxicity was determined against HCT-15 human colon tumor cell line ...	2342050
HCT-116	IC50	=	2300.0	nM	5.64	In vitro cytotoxicity was determined against COLO 320 DM,HCT-15, COLO-205, HCT11...	2342050

Literature References

PubMed	DOI	Target Context	# Activities
2342050	10.1021/jm00168a003	SN12C	2
2342050	10.1021/jm00168a003	CCRF-CEM	2
2342050	10.1021/jm00168a003	Homo sapiens	2
2342050	10.1021/jm00168a003	COLO 320	2
2342050	10.1021/jm00168a003	ADMET	2
2342050	10.1021/jm00168a003	HCT-116	1
2342050	10.1021/jm00168a003	UACC-257	1
2342050	10.1021/jm00168a003	SK-MEL-5	1
2342050	10.1021/jm00168a003	MCF7	1
2342050	10.1021/jm00168a003	SK-MEL-2	1
2342050	10.1021/jm00168a003	LOX IMVI	1
2342050	10.1021/jm00168a003	KM12	1
2342050	10.1021/jm00168a003	KM-20L2	1
2342050	10.1021/jm00168a003	HCC 2998	1
2342050	10.1021/jm00168a003	COLO 205	1
2342050	10.1021/jm00168a003	HCT-15	1
2342050	10.1021/jm00168a003	K562	1
2342050	10.1021/jm00168a003	RPMI-8226	1
2342050	10.1021/jm00168a003	MOLT-4	1
2342050	10.1021/jm00168a003	CCRF-SB	1

Data from ChEMBL 36 via Core Engine