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

CHEMBL3397608

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=S1(=O)COc2cc(-c3cccnc3)ccc2N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3397608
Phase Preclinical
Structure Type MOL
InChI Key LECHUIUXRJWYRN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

262.3
MW (Da)
1.84
ALogP
4
HBA
1
HBD
68.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H10N2O3S
MW 262.29
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.81

Literature References

PubMed DOI Target Context # Activities
25528333 10.1016/j.ejmech.2014.12.022 Cytochrome P450 11B2, mitochondrial 3
25528333 10.1016/j.ejmech.2014.12.022 Cytochrome P450 11B1, mitochondrial 1
25528333 10.1016/j.ejmech.2014.12.022 Unchecked 1

Data from ChEMBL 36 via Core Engine