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Compound Detail

CHEMBL61014

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CNC(=O)CN1CCC2C(C1)c1c(O)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C

Basic Information

ChEMBL ID CHEMBL61014
Phase Preclinical
Structure Type MOL
InChI Key YURQMMUFTHDOOJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

468.6
MW (Da)
4.98
ALogP
4
HBA
2
HBD
61.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H37FN2O3
MW 468.61
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness 0.26

Activity Summary

Ki 1 meas. best 5.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
Ki 5.48 5.48 3300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1317924 10.1021/jm00089a016 Platelet-activating factor receptor 1

Data from ChEMBL 36 via Core Engine