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Compound Detail

CHEMBL307851

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CC(C)(C)N(O)c1ccc(C(=O)NCc2ccccn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL307851
Phase Preclinical
Structure Type MOL
InChI Key GVYKHPBWOGALMG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

299.4
MW (Da)
3.01
ALogP
4
HBA
2
HBD
65.5
PSA (Ų)
0.85
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 C17H21N3O2
MW 299.37
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.59

Activity Summary

IC50 1 meas. best 4.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Gerbillinae
CHEMBL612671
 IC50 4.96 4.96 11100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Gerbillinae IC50 = 11100.0 nM 4.96 In vitro inhibitory activity against lipid peroxidation in gerbils 12824016

Literature References

PubMed DOI Target Context # Activities
12824016 10.1016/s0960-894x(03)00444-x Gerbillinae 1

Data from ChEMBL 36 via Core Engine