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Compound Detail

CHEMBL435115

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

Basic Information

ChEMBL ID CHEMBL435115
Phase Preclinical
Structure Type MOL
InChI Key SYZXLXOQSSXUNZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

453.5
MW (Da)
4.21
ALogP
7
HBA
1
HBD
93.2
PSA (Ų)
0.41
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 C26H23N5O3
MW 453.50
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -1.02

Activity Summary

Ki 1 meas. best 8.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
Ki 8.21 8.21 6.1 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