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Compound Detail

CHEMBL120322

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Cc1cc(C)c2c(n1)N=C(c1ccc(-n3c(C)nc4cnccc43)cc1)CC(=O)N2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL120322
Phase Preclinical
Structure Type MOL
InChI Key SHPULYPCLRVLCV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
4.23
ALogP
6
HBA
0
HBD
76.3
PSA (Ų)
0.50
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 C24H22N6O
MW 410.48
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.23

Activity Summary

IC50 1 meas. best 7.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
 IC50 7.42 7.42 38.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-activating factor receptor IC50 = 38.0 nM 7.42 In vitro antagonist activity against platelet activating factor (PAF) receptor, ... 7658439

Literature References

PubMed DOI Target Context # Activities
7658439 10.1021/jm00018a012 Platelet-activating factor receptor 1
7658439 10.1021/jm00018a012 Mus musculus 1

Data from ChEMBL 36 via Core Engine