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Compound Detail

CHEMBL5183153

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CC1(C)OC2=C(CC1[Se]c1ccc(F)cc1)C(=O)C(=O)c1ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5183153
Phase Preclinical
Structure Type MOL
InChI Key GSROUDIKWVMLEO-UHFFFAOYSA-N
6
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

415.3
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17FO3Se
MW 415.32

Activity Summary

IC50 8 meas. best 6.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MCF7
CHEMBL387
 IC50 6.02 6.02 950.0 1
PC-3
CHEMBL390
 IC50 6.02 6.02 950.0 1
HCT-116
CHEMBL394
 IC50 6.02 6.02 950.0 1
B16-F10
CHEMBL612656
 IC50 6.02 6.02 950.0 1
SNB-19
CHEMBL614164
 IC50 6.02 6.02 950.0 1
Trypanosoma cruzi
CHEMBL368
 IC50 4.42 4.42 38300.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MCF7 IC50 = 950.0 nM 6.02 Cytotoxicity against human MCF7 cells assessed as reduction in cell viability in... 33158575
HCT-116 IC50 = 950.0 nM 6.02 Cytotoxicity against human HCT-116 cells assessed as reduction in cell viability... 33158575
PC-3 IC50 = 950.0 nM 6.02 Cytotoxicity against human PC-3 cells assessed as reduction in cell viability in... 33158575
SNB-19 IC50 = 950.0 nM 6.02 Cytotoxicity against human SNB-19 cells assessed as reduction in cell viability ... 33158575
B16-F10 IC50 = 950.0 nM 6.02 Cytotoxicity against mouse B16-F10 cells assessed as reduction in cell viability... 33158575
Trypanosoma cruzi IC50 = 38300.0 nM 4.42 Antitrypanosomal activity against bloodstream form of Trypanosoma cruzi Y trypom... 33158575
Trypanosoma cruzi IC50 = 38300.0 nM 4.42 Antibacterial activity against Trypanosoma cruzi Y assessed as bacterial growth ... 34217061
Trypanosoma cruzi IC50 = 38300.0 nM 4.42 Antitrypanosomal activity against bloodstream Trypanosoma cruzi Y strain trypoma... 36493616

Literature References

PubMed DOI Target Context # Activities
34217061 10.1016/j.ejmech.2021.113621 Trypanosoma cruzi 2
33158575 10.1016/j.ejmech.2020.112962 MCF7 1
33158575 10.1016/j.ejmech.2020.112962 HCT-116 1
33158575 10.1016/j.ejmech.2020.112962 PC-3 1
33158575 10.1016/j.ejmech.2020.112962 Trypanosoma cruzi 1
33158575 10.1016/j.ejmech.2020.112962 SNB-19 1
33158575 10.1016/j.ejmech.2020.112962 B16-F10 1
36493616 10.1016/j.ejmech.2022.115002 Trypanosoma cruzi 1

Data from ChEMBL 36 via Core Engine