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Compound Detail

CHEMBL3663966

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CC(=O)N1N=C(c2ccc(O)c(O)c2)CC1c1ccc(O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3663966
Phase Preclinical
Structure Type MOL
InChI Key FKBXYRSJHNKIKN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

328.3
MW (Da)
2.21
ALogP
6
HBA
4
HBD
113.6
PSA (Ų)
0.63
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 C17H16N2O5
MW 328.32
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.30

Activity Summary

IC50 1 meas. best 4.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Microtubule-associated protein tau
CHEMBL1293224
 IC50 4.11 4.11 78510.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Microtubule-associated protein tau IC50 = 78510.0 nM 4.11 Thio S Fluorometry Assay: The Thio S fluorometry assay as a primary screening me... -

Data from ChEMBL 36 via Core Engine