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Compound Detail

CHEMBL304427

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CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)NC)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL304427
Phase Preclinical
Structure Type MOL
InChI Key LQLJVDXDUMLJJC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

428.6
MW (Da)
5.09
ALogP
4
HBA
2
HBD
61.8
PSA (Ų)
0.57
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H40N2O3
MW 428.62
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness 0.36

Activity Summary

Ki 1 meas. best 5.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
 Ki 5.43 5.43 3680.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-activating factor receptor Ki = 3680.0 nM 5.43 In vitro intrinsic binding affinity at platelet activating factor receptor using... 1317924

Literature References

PubMed DOI Target Context # Activities
6681843 10.1021/jm00356a031 Rattus norvegicus 13
6681843 10.1021/jm00356a031 Mus musculus 3
1317924 10.1021/jm00089a016 Platelet-activating factor receptor 1

Data from ChEMBL 36 via Core Engine