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Compound Detail

CHEMBL174859

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C#Cc1cccc2[nH]cc(C(=O)c3ccc(Cn4c(C)nc5cnccc54)c(F)c3)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL174859
Phase Preclinical
Structure Type MOL
InChI Key QWKNKKYJTUCXAB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

408.4
MW (Da)
4.62
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.35
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H17FN4O
MW 408.44
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -1.55

Activity Summary

Ki 1 meas. best 8.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
 Ki 8.66 8.66 2.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-activating factor receptor Ki = 2.2 nM 8.66 Binding potency against Platelet activating factor (PAF) receptor using [3H]C18-... 9438024

Literature References

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

Data from ChEMBL 36 via Core Engine