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Compound Detail

CHEMBL369614

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COc1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C

Basic Information

ChEMBL ID CHEMBL369614
Phase Preclinical
Structure Type MOL
InChI Key IRCLLIOYAHORDE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

467.5
MW (Da)
4.51
ALogP
7
HBA
0
HBD
82.2
PSA (Ų)
0.36
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H25N5O3
MW 467.53
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -1.16

Activity Summary

Ki 1 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
Ki 8.7 8.7 2.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9438024 10.1021/jm970389+ Platelet-activating factor receptor 3

Data from ChEMBL 36 via Core Engine