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Compound Detail

CHEMBL4217012

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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](C(C)C)(C(C)C)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4217012
Phase Preclinical
Structure Type MOL
InChI Key SKJYNFAUYXXGIW-UFVCMBBUSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

718.9
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H56BrNO6Si
MW 718.85

Activity Summary

IC50 2 meas. best 4.53

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.53 4.53 29730.0 1
P388
CHEMBL389
 IC50 4.39 4.39 40540.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 29730.0 nM 4.53 Cytotoxicity against rat ASK cells assessed as reduction in cell viability by SR... 28755636
P388 IC50 = 40540.0 nM 4.39 Cytotoxicity against mouse P388 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