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Compound Detail

CHEMBL4084498

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O=C1c2cccc3cccc(c23)C(=O)N1CCCCCCN=C=[Se]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4084498
Phase Preclinical
Structure Type MOL
InChI Key IYUNFMHQMGDFMD-UHFFFAOYSA-N
3
Targets
12
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

385.3
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N2O2Se
MW 385.32

Activity Summary

IC50 12 meas. best 6.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
CHL-1
CHEMBL1075422
 IC50 6.1 5.5933 800.0 3
UACC-903
CHEMBL612446
 IC50 5.77 5.4133 1700.0 3
Unchecked
CHEMBL612545
 IC50 5.57 5.095 2700.0 6

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
CHL-1 IC50 = 800.0 nM 6.1 Antiproliferative activity against human CHL-1 cells harboring wild type BRAF af... 28458134
CHL-1 IC50 = 1500.0 nM 5.82 Antiproliferative activity against human CHL-1 cells harboring wild type BRAF af... 28458134
UACC-903 IC50 = 1700.0 nM 5.77 Antiproliferative activity against human UACC-903 cells harboring BRAF V600E mut... 28458134
UACC-903 IC50 = 2500.0 nM 5.6 Antiproliferative activity against human UACC-903 cells harboring BRAF V600E mut... 28458134
Unchecked IC50 = 2700.0 nM 5.57 Antiproliferative activity against human A375M cells harboring BRAF V600E mutant... 28458134
Unchecked IC50 = 4400.0 nM 5.36 Antiproliferative activity against human A375M cells harboring BRAF V600E mutant... 28458134
Unchecked IC50 = 10600.0 nM 4.97 Antiproliferative activity against human 1205 Lu cells harboring BRAF V600E muta... 28458134
Unchecked IC50 = 11800.0 nM 4.93 Antiproliferative activity against human A375M cells harboring BRAF V600E mutant... 28458134
Unchecked IC50 = 13400.0 nM 4.87 Antiproliferative activity against human 1205 Lu cells harboring BRAF V600E muta... 28458134
UACC-903 IC50 = 13400.0 nM 4.87 Antiproliferative activity against human UACC-903 cells harboring BRAF V600E mut... 28458134
Unchecked IC50 = 13400.0 nM 4.87 Antiproliferative activity against human 1205 Lu cells harboring BRAF V600E muta... 28458134
CHL-1 IC50 = 13700.0 nM 4.86 Antiproliferative activity against human CHL-1 cells harboring wild type BRAF af... 28458134

Literature References

PubMed DOI Target Context # Activities
28458134 10.1016/j.ejmech.2017.04.052 UACC-903 20
28458134 10.1016/j.ejmech.2017.04.052 Unchecked 7
28458134 10.1016/j.ejmech.2017.04.052 CHL-1 4
28458134 10.1016/j.ejmech.2017.04.052 NHDF 2
28458134 10.1016/j.ejmech.2017.04.052 DNA topoisomerase 2-alpha 1
28458134 10.1016/j.ejmech.2017.04.052 RAC-alpha serine/threonine-protein kinase 1
28458134 10.1016/j.ejmech.2017.04.052 Mitogen-activated protein kinase; ERK1/ERK2 1
28458134 10.1016/j.ejmech.2017.04.052 Mus musculus 1

Data from ChEMBL 36 via Core Engine