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Compound Detail

CHEMBL1424583

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O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1cccnc1

Basic Information

ChEMBL ID CHEMBL1424583
Phase Preclinical
Structure Type MOL
InChI Key FNMUQXAXWHYNQS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
3.33
ALogP
4
HBA
1
HBD
68.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16N2O3
MW 332.36
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.48

Activity Summary

IC50 1 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Galanin receptor type 3
CHEMBL2731
IC50 6.4 6.4 399.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Galanin receptor type 3 IC50 = 399.11 nM 6.4 PubChem BioAssay. Fluorescence-based cell-based primary high throughput dose res... -

Literature References

PubMed DOI Target Context # Activities
26519929 10.1016/j.ejmech.2015.10.032 Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine