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Compound Detail

CHEMBL1358059

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COC/C=C/C1=CC2=CC(=O)C(C)(OC(=O)CCC(=O)OC)C(=O)C2=CO1

Basic Information

ChEMBL ID CHEMBL1358059
Phase Preclinical
Structure Type MOL
InChI Key WYRVXUZELYCAMB-SNAWJCMRSA-N
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

376.4
MW (Da)
1.32
ALogP
8
HBA
0
HBD
105.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20O8
MW 376.36
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness 2.47

Activity Summary

EC50 2 meas. best 4.77
IC50 1 meas. best 5.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1
CHEMBL2097170
IC50 5.13 5.13 7430.0 1
Zinc finger protein mex-5
CHEMBL1293319
EC50 4.77 4.77 16962.0 1
RNA-binding protein pos-1
CHEMBL1293304
EC50 4.66 4.66 22141.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine