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Compound Detail

CHEMBL340989

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N#CC(c1ccncc1)N1CCN(C(=O)CNC(=O)C(c2ccccc2)c2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL340989
Phase Preclinical
Structure Type MOL
InChI Key IPOCEWGZFJGJBN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

453.6
MW (Da)
2.74
ALogP
5
HBA
1
HBD
89.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H27N5O2
MW 453.55
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.28

Activity Summary

IC50 1 meas. best 6.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
 IC50 6.17 6.17 680.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-activating factor receptor IC50 = 680.0 nM 6.17 Concentration tested in vitro to inhibit PAF-induced maximum aggregation (PAF-An... 1433215

Literature References

PubMed DOI Target Context # Activities
1433215 10.1021/jm00100a018 Platelet-activating factor receptor 3

Data from ChEMBL 36 via Core Engine