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

CHEMBL600023

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(C)CC(=O)c1c(O)c(C=O)c(O)c(C(c2ccccn2)c2c(O)c(C=O)c(O)c(C(=O)CC(C)C)c2O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL600023
Phase Preclinical
Structure Type MOL
InChI Key XWSAERHBXIVYIT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

565.6
MW (Da)
4.58
ALogP
11
HBA
6
HBD
202.6
PSA (Ų)
0.14
QED
3
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H31NO10
MW 565.58
Aromatic Rings 3
Heavy Atoms 41
NP-Likeness 0.42

Literature References

PubMed DOI Target Context # Activities
20137956 10.1016/j.bmc.2010.01.023 Human immunodeficiency virus 1 2
20137956 10.1016/j.bmc.2010.01.023 CCRF-CEM 2

Data from ChEMBL 36 via Core Engine