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Compound Detail

CHEMBL5927274

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CN1CCN(C(=O)c2cc(Cl)c(O)cc2O)C(c2ccccc2)C1

Basic Information

ChEMBL ID CHEMBL5927274
Phase Preclinical
Structure Type MOL
InChI Key ALEGUOAREHPDLU-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

346.8
MW (Da)
2.88
ALogP
4
HBA
2
HBD
64.0
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19ClN2O3
MW 346.81
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.86

Activity Summary

IC50 2 meas. best 7.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Heat shock protein HSP 90-alpha
CHEMBL3880
IC50 7.16 7.16 70.0 1
Unchecked
CHEMBL612545
IC50 7.16 7.16 70.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine