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Compound Detail

CHEMBL118511

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Cc1nc2cnccc2n1-c1ccc(C2=Nc3cccnc3N(C)C(=O)C2)cc1

Basic Information

ChEMBL ID CHEMBL118511
Phase Preclinical
Structure Type MOL
InChI Key MVDLMYYZHBWHPR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

382.4
MW (Da)
3.61
ALogP
6
HBA
0
HBD
76.3
PSA (Ų)
0.53
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 C22H18N6O
MW 382.43
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.37

Activity Summary

IC50 1 meas. best 8.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
IC50 8.46 8.46 3.5 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