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Compound Detail

CHEMBL1519576

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COC(=O)c1c(C)n(-c2ccccc2)c2ccc(O)cc12

Basic Information

ChEMBL ID CHEMBL1519576
Phase Preclinical
Structure Type MOL
InChI Key TZVSNBUGRJWZJS-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

281.3
MW (Da)
3.43
ALogP
4
HBA
1
HBD
51.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15NO3
MW 281.31
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.58

Activity Summary

EC50 2 meas. best 5.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 5.59 5.59 2592.0 1
ATP-dependent molecular chaperone HSP82
CHEMBL1293251
EC50 5.5 5.5 3162.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine