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Compound Detail

CHEMBL1698563

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COc1cc(NC(=O)c2cc(C3CC3)on2)cc(OC)c1

Basic Information

ChEMBL ID CHEMBL1698563
Phase Preclinical
Structure Type MOL
InChI Key LQSYDESQZWRMAV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

288.3
MW (Da)
2.82
ALogP
5
HBA
1
HBD
73.6
PSA (Ų)
0.92
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H16N2O4
MW 288.30
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.55

Activity Summary

EC50 1 meas. best 4.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Signal transducer and activator of transcription 1-alpha/beta
CHEMBL6101
EC50 4.52 4.52 29976.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine