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Compound Detail

CHEMBL431664

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Cc1nn(C)c2c1NC(=O)CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=N2

Basic Information

ChEMBL ID CHEMBL431664
Phase Preclinical
Structure Type MOL
InChI Key QUKHDRUSEWLOFR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

385.4
MW (Da)
3.23
ALogP
7
HBA
1
HBD
90.0
PSA (Ų)
0.57
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 C21H19N7O
MW 385.43
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.40

Activity Summary

IC50 1 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
IC50 9.0 9.0 1.0 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
7658439 10.1021/jm00018a012 Canis familiaris 2

Data from ChEMBL 36 via Core Engine