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Compound Detail

CHEMBL1450911

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O=C(/C=C/c1cccc(F)c1)N1CCc2ccccc21

Basic Information

ChEMBL ID CHEMBL1450911
Phase Preclinical
Structure Type MOL
InChI Key JPEUGQIVTFFHNF-CMDGGOBGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

267.3
MW (Da)
3.43
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14FNO
MW 267.30
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.12

Activity Summary

EC50 1 meas. best 6.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Signal transducer and activator of transcription 1-alpha/beta
CHEMBL6101
EC50 6.68 6.68 210.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine