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Compound Detail

CHEMBL119659

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Cc1nc2cnccc2n1-c1ccc(C2=Nc3c(C4CCCCC4)nn(C)c3N(C)C(=O)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL119659
Phase Preclinical
Structure Type MOL
InChI Key SVSNCAKBFYRFJM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

467.6
MW (Da)
5.00
ALogP
7
HBA
0
HBD
81.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29N7O
MW 467.58
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.11

Activity Summary

IC50 1 meas. best 9.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
 IC50 9.15 9.15 0.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-activating factor receptor IC50 = 0.7 nM 9.15 In vitro antagonist activity against platelet activating factor (PAF) receptor, ... 7658439

Literature References

PubMed DOI Target Context # Activities
7658439 10.1021/jm00018a012 Platelet-activating factor receptor 2
7658439 10.1021/jm00018a012 Canis familiaris 2

Data from ChEMBL 36 via Core Engine