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Compound Detail

CHEMBL141825

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CC(C)c1ccc2nc3ccc(C(=O)NCCCCCCc4cncnc4)cn3c(=O)c2c1

Basic Information

ChEMBL ID CHEMBL141825
Phase Preclinical
Structure Type MOL
InChI Key XMGWUMLCQPDZIO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

443.6
MW (Da)
4.29
ALogP
6
HBA
1
HBD
89.2
PSA (Ų)
0.31
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 C26H29N5O2
MW 443.55
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.21

Activity Summary

IC50 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL250
IC50 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
3339617 10.1021/jm00397a034 Platelet-activating factor receptor 1

Data from ChEMBL 36 via Core Engine