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Compound Detail

CHEMBL34612

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CCCCCCCC1CCC(OCCCn2c(C)nc3cnccc32)O1

Basic Information

ChEMBL ID CHEMBL34612
Phase Preclinical
Structure Type MOL
InChI Key FMQIRPQLYMBXFC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

359.5
MW (Da)
5.01
ALogP
5
HBA
0
HBD
49.2
PSA (Ų)
0.53
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H33N3O2
MW 359.51
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.36

Activity Summary

IC50 1 meas. best 6.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL250
IC50 6.92 6.92 120.0 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