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Compound Detail

CHEMBL311227

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C1=C(c2ccc(CN3CCOCC3)cc2)N2CCN=C2c2ccccc21

Basic Information

ChEMBL ID CHEMBL311227
Phase Preclinical
Structure Type MOL
InChI Key JARRQWMNGRXVAY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
3.09
ALogP
4
HBA
0
HBD
28.1
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23N3O
MW 345.45
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.79

Activity Summary

IC50 1 meas. best 5.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL250
IC50 5.55 5.55 2800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7830265 10.1021/jm00002a004 Abelson 8.1 3
7830265 10.1021/jm00002a004 Platelet-activating factor receptor 1

Data from ChEMBL 36 via Core Engine