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Compound Detail

CHEMBL3663965

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Oc1ccc(Cc2cc(O)c(O)cc2O)cc1O

Basic Information

ChEMBL ID CHEMBL3663965
Phase Preclinical
Structure Type MOL
InChI Key OPUVYFODVMIGHM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

248.2
MW (Da)
1.81
ALogP
5
HBA
5
HBD
101.2
PSA (Ų)
0.41
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 C13H12O5
MW 248.23
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 1.03

Activity Summary

IC50 1 meas. best 5.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Microtubule-associated protein tau
CHEMBL1293224
IC50 5.28 5.28 5200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine