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

CHEMBL19043

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
COc1ccc2cc(C(=O)NCCCNC(=O)c3ccc4c(OC)c(OC)ccc4c3)ccc2c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL19043
Phase Preclinical
Structure Type MOL
InChI Key NACSYYRNSZHXNL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

502.6
MW (Da)
4.58
ALogP
6
HBA
2
HBD
95.1
PSA (Ų)
0.31
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H30N2O6
MW 502.57
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -0.22

Literature References

PubMed DOI Target Context # Activities
9111292 10.1021/jm960449w Human immunodeficiency virus type 1 integrase 2

Data from ChEMBL 36 via Core Engine