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

CHEMBL345289

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
S=C(NCCc1cccs1)Nc1nccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL345289
Phase Preclinical
Structure Type MOL
InChI Key XVFVIQYNYRBJSF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

269.4
MW (Da)
2.73
ALogP
4
HBA
2
HBD
37.0
PSA (Ų)
0.84
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 C10H11N3S3
MW 269.42
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -3.17

Literature References

PubMed DOI Target Context # Activities
11229762 10.1016/s0960-894x(01)00011-7 Human immunodeficiency virus 1 2
11229762 10.1016/s0960-894x(01)00011-7 Human immunodeficiency virus type 1 reverse transcriptase 2
11229762 10.1016/s0960-894x(01)00011-7 ADMET 1

Data from ChEMBL 36 via Core Engine