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Compound Detail

CHEMBL1562136

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CC1(c2ccc([N+](=O)[O-])cc2)CC(C)(C)N(C(=O)c2ccccc2)c2ccccc21

Basic Information

ChEMBL ID CHEMBL1562136
Phase Preclinical
Structure Type MOL
InChI Key XIWKMFXEMLHGJB-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
5.73
ALogP
3
HBA
0
HBD
63.5
PSA (Ų)
0.42
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24N2O3
MW 400.48
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.61

Activity Summary

IC50 3 meas. best 5.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.14 5.0967 7160.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine