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Compound Detail

CHEMBL1878609

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COc1ccc(CNC(=O)c2cccc3c(-c4cccnc4)coc23)cc1OC

Basic Information

ChEMBL ID CHEMBL1878609
Phase Preclinical
Structure Type MOL
InChI Key JFJPHFGNNOUNGZ-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

388.4
MW (Da)
4.44
ALogP
5
HBA
1
HBD
73.6
PSA (Ų)
0.53
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 C23H20N2O4
MW 388.42
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.82

Activity Summary

IC50 3 meas. best 6.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Galanin receptor type 3
CHEMBL2731
IC50 6.9 6.9 126.3 1
COUP transcription factor 2
CHEMBL1961790
IC50 5.83 5.83 1465.0 1
Tegument protein VP16
CHEMBL4218
IC50 4.36 4.36 43369.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine