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Compound Detail

CHEMBL4205297

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CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(CNc4ccc(Br)cc4)O[C@H](C4=CCOC4=O)C[C@H]32)[C@]1(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4205297
Phase Preclinical
Structure Type MOL
InChI Key IYBMVGNIWADWEK-GCXCVHSYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

800.9
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C44H54BrNO6Si
MW 800.91

Activity Summary

IC50 2 meas. best 4.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
P388
CHEMBL389
 IC50 4.32 4.32 48290.0 1
A549
CHEMBL392
 IC50 4.32 4.32 47770.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
P388 IC50 = 48290.0 nM 4.32 Cytotoxicity against mouse P388 cells assessed as reduction in cell viability by... 28755636
A549 IC50 = 47770.0 nM 4.32 Cytotoxicity against human A549 cells assessed as reduction in cell viability by... 28755636

Literature References

PubMed DOI Target Context # Activities
28755636 10.1016/j.ejmech.2017.07.035 HT-29 1
28755636 10.1016/j.ejmech.2017.07.035 KB 1
28755636 10.1016/j.ejmech.2017.07.035 P388 1
28755636 10.1016/j.ejmech.2017.07.035 MCF7 1
28755636 10.1016/j.ejmech.2017.07.035 A549 1
28755636 10.1016/j.ejmech.2017.07.035 Unchecked 1

Data from ChEMBL 36 via Core Engine