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Compound Detail

CHEMBL427307

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Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(C(=O)OCc4ccccc4)c23)cc1

Basic Information

ChEMBL ID CHEMBL427307
Phase Preclinical
Structure Type MOL
InChI Key CXQFJDRCEWRFQR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

571.6
MW (Da)
5.86
ALogP
8
HBA
0
HBD
99.3
PSA (Ų)
0.18
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H29N5O4
MW 571.64
Aromatic Rings 6
Heavy Atoms 43
NP-Likeness -1.05

Activity Summary

Ki 1 meas. best 9.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
Ki 9.07 9.07 0.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9438024 10.1021/jm970389+ Platelet-activating factor receptor 2

Data from ChEMBL 36 via Core Engine