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Compound Detail

CHEMBL37770

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COc1ccc(C2CCC(OCCCCn3c(C)nc4cnccc43)O2)cc1OC

Basic Information

ChEMBL ID CHEMBL37770
Phase Preclinical
Structure Type MOL
InChI Key OBNNIOHNWGWSBC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

411.5
MW (Da)
4.43
ALogP
7
HBA
0
HBD
67.6
PSA (Ų)
0.49
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 C23H29N3O4
MW 411.50
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.42

Activity Summary

IC50 1 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL250
IC50 6.3 6.3 500.0 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
- 10.1016/S0960-894X(00)80006-2 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine