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Compound Detail

CHEMBL420943

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C1=C(c2ccc(-c3ccccc3)cc2)N2CCN=C2c2ccccc21

Basic Information

ChEMBL ID CHEMBL420943
Phase Preclinical
Structure Type MOL
InChI Key ODUACGSWQIDXJW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
4.93
ALogP
2
HBA
0
HBD
15.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18N2
MW 322.41
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.20

Activity Summary

IC50 1 meas. best 5.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL250
IC50 5.47 5.47 3400.0 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 YAC-1 3
7830265 10.1021/jm00002a004 Platelet-activating factor receptor 1

Data from ChEMBL 36 via Core Engine