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Compound Detail

CHEMBL1497574

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CCN(CC)c1ccc2cc(C(=O)Nc3ccccn3)c(=O)oc2c1

Basic Information

ChEMBL ID CHEMBL1497574
Phase Preclinical
Structure Type MOL
InChI Key BQHCBHGIMFAGFX-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
3.29
ALogP
5
HBA
1
HBD
75.4
PSA (Ų)
0.72
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 C19H19N3O3
MW 337.38
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.41

Activity Summary

EC50 3 meas. best 6.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Signal transducer and activator of transcription 3
CHEMBL4026
EC50 6.09 6.09 803.5 1
Unchecked
CHEMBL612545
EC50 5.27 5.27 5370.0 1
Signal transducer and activator of transcription 1-alpha/beta
CHEMBL6101
EC50 5.0 5.0 10006.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine