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

CHEMBL4168999

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
Nc1c(C(=O)NC2CCCCC2)sc2nc(-c3cccs3)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4168999
Phase Preclinical
Structure Type MOL
InChI Key XEMLZOABKVRUCG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

357.5
MW (Da)
4.67
ALogP
5
HBA
2
HBD
68.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19N3OS2
MW 357.50
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -2.09

Literature References

PubMed DOI Target Context # Activities
29733999 10.1016/j.ejmech.2018.04.028 Hepatocyte 1

Data from ChEMBL 36 via Core Engine