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

CHEMBL3288953

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)(C)Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3288953
Phase Preclinical
Structure Type MOL
InChI Key HEIPREYWGRKZOO-INIZCTEOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
3.98
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20O5
MW 328.36
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 1.19

Literature References

PubMed DOI Target Context # Activities
24794743 10.1016/j.bmc.2014.04.016 Human immunodeficiency virus type 1 integrase 3
24794743 10.1016/j.bmc.2014.04.016 Human immunodeficiency virus 1 1
24794743 10.1016/j.bmc.2014.04.016 C8166 1
24794743 10.1016/j.bmc.2014.04.016 ADMET 1

Data from ChEMBL 36 via Core Engine