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

CHEMBL59401

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
CC(=O)SCCC(=O)N1Cc2ccccc2C1C(=O)OC(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL59401
Phase Preclinical
Structure Type MOL
InChI Key HOCDDMHOVKSKSE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
3.08
ALogP
5
HBA
0
HBD
63.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23NO4S
MW 349.45
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.36

Literature References

PubMed DOI Target Context # Activities
3020249 10.1021/jm00160a026 Angiotensin-converting enzyme 1

Data from ChEMBL 36 via Core Engine