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

CHEMBL172993

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(=O)C1(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)CCOC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL172993
Phase Preclinical
Structure Type MOL
InChI Key WZGSRWZGMUIMAK-XUTLUUPISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

388.4
MW (Da)
2.24
ALogP
8
HBA
1
HBD
127.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16N4O5S
MW 388.41
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.92

Literature References

PubMed DOI Target Context # Activities
9083480 10.1021/jm960596u Human immunodeficiency virus type 1 integrase 2

Data from ChEMBL 36 via Core Engine