Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL421827

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCCCCCCCCCCCCOc1ccc(C(=O)NC(=O)c2cc[n+](CCC)cc2)cc1OC.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL421827
Phase Preclinical
Structure Type MOL
InChI Key PVCXYDNNKJBZPH-UHFFFAOYSA-N
Parent Compound CHEMBL1185571
Active Moiety CHEMBL1185571
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

511.7
MW (Da)
7.04
ALogP
4
HBA
1
HBD
68.5
PSA (Ų)
0.12
QED
2
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H47IN2O4
MW 638.63
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -0.38

Literature References

PubMed DOI Target Context # Activities
8496938 10.1021/jm00057a008 Platelet-activating factor receptor 2

Data from ChEMBL 36 via Core Engine