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Compound Detail

CHEMBL176797

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Cc1ccc(C)c2c(C(=O)c3ccc(Cn4c(C)nc5cnccc54)cc3)c[nH]c12

Basic Information

ChEMBL ID CHEMBL176797
Phase Preclinical
Structure Type MOL
InChI Key CMTYASCSOPLSAO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

394.5
MW (Da)
5.12
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.43
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22N4O
MW 394.48
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -1.10

Activity Summary

Ki 1 meas. best 9.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
Ki 9.06 9.06 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