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Compound Detail

CHEMBL119317

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Cc1cc2c(cc1C)-n1ccnc1CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=N2

Basic Information

ChEMBL ID CHEMBL119317
Phase Preclinical
Structure Type MOL
InChI Key JQHKCSULALWRAG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

418.5
MW (Da)
5.21
ALogP
6
HBA
0
HBD
60.9
PSA (Ų)
0.40
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H22N6
MW 418.50
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.26

Activity Summary

IC50 1 meas. best 8.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
IC50 8.89 8.89 1.3 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