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Compound Detail

CHEMBL118813

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Cc1cc2c(cc1C)-n1cnnc1CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=N2

Basic Information

ChEMBL ID CHEMBL118813
Phase Preclinical
Structure Type MOL
InChI Key KSTQFXPEVYJNDR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

419.5
MW (Da)
4.60
ALogP
7
HBA
0
HBD
73.8
PSA (Ų)
0.42
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 C25H21N7
MW 419.49
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.41

Activity Summary

IC50 1 meas. best 8.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
IC50 8.64 8.64 2.3 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