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Compound Detail

CHEMBL88327

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COC(=O)C1=C(C)OC(C)=C(C(=O)OC)C1c1cccc(Cl)c1

Basic Information

ChEMBL ID CHEMBL88327
Phase Preclinical
Structure Type MOL
InChI Key SXNVXANLVJMHQR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.8
MW (Da)
3.35
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17ClO5
MW 336.77
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.55

Activity Summary

IC50 1 meas. best 7.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
C6-BU-1
CHEMBL614532
IC50 7.58 7.58 26.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
C6-BU-1 IC50 = 26.0 nM 7.58 IKCa channel inhibition was determined measuring ionomycin-induced Rb+ efflux of... 12873483

Literature References

PubMed DOI Target Context # Activities
12873483 10.1016/s0960-894x(03)00560-2 C6-BU-1 1

Data from ChEMBL 36 via Core Engine