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Compound Detail

CHEMBL420697

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Cc1cc2c(cc1C)-n1nnnc1CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=N2

Basic Information

ChEMBL ID CHEMBL420697
Phase Preclinical
Structure Type MOL
InChI Key RVZSGDUCSBXFBV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

420.5
MW (Da)
4.00
ALogP
8
HBA
0
HBD
86.7
PSA (Ų)
0.43
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 C24H20N8
MW 420.48
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.59

Activity Summary

IC50 1 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
IC50 7.96 7.96 11.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7658439 10.1021/jm00018a012 Platelet-activating factor receptor 2

Data from ChEMBL 36 via Core Engine