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Compound Detail

CHEMBL286696

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COc1ccc(C2CCC(OCCCn3c(C)nnc3C)O2)cc1OC

Basic Information

ChEMBL ID CHEMBL286696
Phase Preclinical
Structure Type MOL
InChI Key MIYGHOXHROYWHR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
3.20
ALogP
7
HBA
0
HBD
67.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H27N3O4
MW 361.44
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.11

Activity Summary

IC50 1 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL250
IC50 6.6 6.6 250.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80006-2 Platelet-activating factor receptor 1

Data from ChEMBL 36 via Core Engine