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

CHEMBL223365

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
O=C(c1cc(=O)[nH]c(SC2CCCC2)n1)c1cccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL223365
Phase Preclinical
Structure Type MOL
InChI Key IDPNCJHVPJSUIG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
4.19
ALogP
4
HBA
1
HBD
62.8
PSA (Ų)
0.57
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 C20H18N2O2S
MW 350.44
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.81

Literature References

PubMed DOI Target Context # Activities
17381078 10.1021/jm061167r Human immunodeficiency virus 1 1
17381078 10.1021/jm061167r MT4 1
17381078 10.1021/jm061167r Unchecked 1

Data from ChEMBL 36 via Core Engine