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

CHEMBL422614

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
CCC(C1=C(O)OC2CCCCCC2C1=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL422614
Phase Preclinical
Structure Type MOL
InChI Key BLNBXVRUTLEPNM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

300.4
MW (Da)
4.50
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24O3
MW 300.40
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.54

Literature References

PubMed DOI Target Context # Activities
8831779 10.1021/jm960296c Human immunodeficiency virus type 1 protease 1

Data from ChEMBL 36 via Core Engine