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Compound Detail

CHEMBL1736009

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COc1cccc(NC(=O)c2cc(C3CC3)on2)c1

Basic Information

ChEMBL ID CHEMBL1736009
Phase Preclinical
Structure Type MOL
InChI Key LBJGRRRXDKDIEN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

258.3
MW (Da)
2.81
ALogP
4
HBA
1
HBD
64.4
PSA (Ų)
0.92
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 C14H14N2O3
MW 258.28
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.94

Activity Summary

EC50 1 meas. best 5.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Signal transducer and activator of transcription 1-alpha/beta
CHEMBL6101
EC50 5.28 5.28 5233.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine