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Compound Detail

CHEMBL1332452

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CCOC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2)c1C

Basic Information

ChEMBL ID CHEMBL1332452
Phase Preclinical
Structure Type MOL
InChI Key IKQDYQGUNZNQGO-LFIBNONCSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
3.56
ALogP
4
HBA
0
HBD
55.0
PSA (Ų)
0.49
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 C18H18N2O2
MW 294.35
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.76

Activity Summary

EC50 2 meas. best 7.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Signal transducer and activator of transcription 1-alpha/beta
CHEMBL6101
EC50 7.16 6.32 69.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine