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Compound Detail

CHEMBL1707774

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COc1cc(NC(=O)c2cc(C)on2)c(OC)cc1Cl

Basic Information

ChEMBL ID CHEMBL1707774
Phase Preclinical
Structure Type MOL
InChI Key IIGKLYKPAAPKFK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

296.7
MW (Da)
2.91
ALogP
5
HBA
1
HBD
73.6
PSA (Ų)
0.94
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 C13H13ClN2O4
MW 296.71
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -2.20

Activity Summary

EC50 1 meas. best 5.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Signal transducer and activator of transcription 3
CHEMBL4026
EC50 5.16 5.16 6978.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine