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

CHEMBL292880

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
CN(C)/C(=N\S(N)(=O)=O)C1=CC(C)(C)Oc2ccc([N+](=O)[O-])cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL292880
Phase Preclinical
Structure Type MOL
InChI Key CSKYXUFLWUGDMZ-SSZFMOIBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
1.31
ALogP
5
HBA
1
HBD
128.1
PSA (Ų)
0.38
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 C14H18N4O5S
MW 354.39
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.32

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80551-5 Rattus norvegicus 2
- 10.1016/S0960-894X(01)80551-5 Cavia porcellus 2

Data from ChEMBL 36 via Core Engine