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Compound Detail

CHEMBL65228

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CNC(=O)CN(C)CC1=CC(C)(C)Oc2cc(C(C)CCCc3ccc(F)cc3)cc(O)c21

Basic Information

ChEMBL ID CHEMBL65228
Phase Preclinical
Structure Type MOL
InChI Key NGVWZEZNJDHYTC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

454.6
MW (Da)
4.89
ALogP
4
HBA
2
HBD
61.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H35FN2O3
MW 454.59
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 0.03

Activity Summary

Ki 1 meas. best 5.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
Ki 5.8 5.8 1575.0 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