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Compound Detail

CHEMBL366998

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COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL366998
Phase Preclinical
Structure Type MOL
InChI Key MCLRIKNCDVUKFZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

467.5
MW (Da)
3.69
ALogP
8
HBA
1
HBD
122.1
PSA (Ų)
0.31
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H21N5O4
MW 467.49
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -1.04

Activity Summary

Ki 1 meas. best 8.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
 Ki 8.82 8.82 1.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-activating factor receptor Ki = 1.5 nM 8.82 Binding potency against Platelet activating factor (PAF) receptor using [3H]C18-... 9438024

Literature References

PubMed DOI Target Context # Activities
9438024 10.1021/jm970389+ Platelet-activating factor receptor 2

Data from ChEMBL 36 via Core Engine