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Compound Detail

CHEMBL1886415

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Cc1ccc([N+](=O)[O-])c(NC2OC(CO)C(O)C2O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1886415
Phase Preclinical
Structure Type MOL
InChI Key JXVQQJXIAAZNPX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

284.3
MW (Da)
-0.25
ALogP
7
HBA
4
HBD
125.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H16N2O6
MW 284.27
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.04

Activity Summary

IC50 1 meas. best 4.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G protein-coupled receptor kinase 6
CHEMBL6144
 IC50 4.92 4.92 11950.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
G protein-coupled receptor kinase 6 IC50 = 11950.0 nM 4.92 TBD: TBD -

Data from ChEMBL 36 via Core Engine