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Compound Detail

CHEMBL4877977

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CC[Si](C#Cc1ccc2c(c1)C=C([N+](=O)[O-])C(C(F)(F)F)O2)(CC)CC

Basic Information

ChEMBL ID CHEMBL4877977
Phase Preclinical
Structure Type MOL
InChI Key VQYCHPJMJSYQDC-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

383.4
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20F3NO3Si
MW 383.44

Activity Summary

IC50 2 meas. best 6.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
P2Y purinoceptor 6
CHEMBL4714
IC50 6.22 6.22 604.0 1
P2Y purinoceptor 6
CHEMBL5291578
IC50 5.31 5.31 4940.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
33831560 10.1016/j.bmcl.2021.128008 P2Y purinoceptor 6 3
36089113 10.1016/j.bmcl.2022.128981 P2Y purinoceptor 1 1
36089113 10.1016/j.bmcl.2022.128981 P2Y purinoceptor 2 1
36089113 10.1016/j.bmcl.2022.128981 P2Y purinoceptor 4 1
36089113 10.1016/j.bmcl.2022.128981 P2Y purinoceptor 6 1
36089113 10.1016/j.bmcl.2022.128981 Unchecked 1
36089113 10.1016/j.bmcl.2022.128981 HEK293 1

Data from ChEMBL 36 via Core Engine