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

CHEMBL375139

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=C1NC(=O)c2c1c1c3ccccc3sc1c1sc3ccccc3c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL375139
Phase Preclinical
Structure Type MOL
InChI Key CQEVJRRZNCUCAW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
5.31
ALogP
4
HBA
1
HBD
46.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H9NO2S2
MW 359.43
Aromatic Rings 5
Heavy Atoms 25
NP-Likeness -0.44

Literature References

PubMed DOI Target Context # Activities
17266195 10.1021/jm051074u Mitogen-activated protein kinase kinase kinase 9 1
17266195 10.1021/jm051074u Mitogen-activated protein kinase kinase kinase 11 1

Data from ChEMBL 36 via Core Engine