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Compound Detail

CHEMBL1449962

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COc1cc(NC(=O)c2cc(C3CC3)on2)c(OC)cc1Cl

Basic Information

ChEMBL ID CHEMBL1449962
Phase Preclinical
Structure Type MOL
InChI Key FMWABCRYNLCXOJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

322.8
MW (Da)
3.47
ALogP
5
HBA
1
HBD
73.6
PSA (Ų)
0.91
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 C15H15ClN2O4
MW 322.75
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.81

Activity Summary

EC50 1 meas. best 8.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Signal transducer and activator of transcription 3
CHEMBL4026
EC50 8.66 8.66 2.2 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine