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Compound Detail

CHEMBL5764622

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COc1cc(CN(C)C(=O)c2cc(Cl)c(O)c(O)c2O)c(Cl)c(OC)c1OC

Basic Information

ChEMBL ID CHEMBL5764622
Phase Preclinical
Structure Type MOL
InChI Key GHZQLVIXNAXKSB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

432.3
MW (Da)
3.41
ALogP
7
HBA
3
HBD
108.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19Cl2NO7
MW 432.26
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.31

Activity Summary

IC50 1 meas. best 5.83

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.83 5.83 1461.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1461.0 nM 5.83 Fluorescence Polarization Assay: Fluorescence polarization assay was performed t... -

Data from ChEMBL 36 via Core Engine