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

CHEMBL577730

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
CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(CN(C)C)CC3=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL577730
Phase Preclinical
Structure Type MOL
InChI Key VUNRWOKBJNWATL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

397.5
MW (Da)
3.83
ALogP
6
HBA
0
HBD
69.0
PSA (Ų)
0.73
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 C23H27NO5
MW 397.47
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 1.66

Literature References

PubMed DOI Target Context # Activities
20050672 10.1021/jm901653e Human immunodeficiency virus 1 1
20050672 10.1021/jm901653e Unchecked 1

Data from ChEMBL 36 via Core Engine