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Compound Detail

CHEMBL1300243

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CC1=C(C)C(=O)C(N2CCOCC2)=CC1=O

Basic Information

ChEMBL ID CHEMBL1300243
Phase Preclinical
Structure Type MOL
InChI Key RHNBLPLXJVTVBI-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

221.3
MW (Da)
0.69
ALogP
4
HBA
0
HBD
46.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15NO3
MW 221.26
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 0.12

Activity Summary

EC50 1 meas. best 4.84
IC50 1 meas. best 4.63

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 4.84 4.84 14285.0 1
Signal transducer and activator of transcription 3
CHEMBL4026
IC50 4.63 4.63 23520.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine