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Compound Detail

CHEMBL141818

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CC(C)c1ccc2nc3ccc(CNCCCCc4cccnc4)cn3c(=O)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL141818
Phase Preclinical
Structure Type MOL
InChI Key RGNIRBZAYFBIKC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
4.48
ALogP
5
HBA
1
HBD
59.3
PSA (Ų)
0.35
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28N4O
MW 400.53
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.06

Literature References

PubMed DOI Target Context # Activities
3339617 10.1021/jm00397a034 Platelet-activating factor receptor 2

Data from ChEMBL 36 via Core Engine