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

CHEMBL543556

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
COc1ccc(C(OCCN2CCCC(C(=O)O)C2)c2ccc(OC)cc2)cc1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL543556
Phase Preclinical
Structure Type MOL
InChI Key PMSZPOMRXSJXEV-UHFFFAOYSA-N
Parent Compound CHEMBL1192336
Active Moiety CHEMBL1192336
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

399.5
MW (Da)
3.61
ALogP
5
HBA
1
HBD
68.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H30ClNO5
MW 435.95
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.56

Literature References

PubMed DOI Target Context # Activities
8510100 10.1021/jm00064a005 Unchecked 1

Data from ChEMBL 36 via Core Engine