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

CHEMBL3414583

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
CO/N=C(/Cc1ccc(OC)cc1)C(=O)NCCSSCCNC(=O)/C(Cc1ccc(OC)cc1)=N\OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3414583
Phase Preclinical
Structure Type MOL
InChI Key ZXFNSQGLGLFYPX-HONQWNAWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

562.7
MW (Da)
3.11
ALogP
10
HBA
2
HBD
119.8
PSA (Ų)
0.13
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H34N4O6S2
MW 562.71
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -0.08

Literature References

PubMed DOI Target Context # Activities
25884112 10.1016/j.ejmech.2015.04.001 NON-PROTEIN TARGET 1
25884112 10.1016/j.ejmech.2015.04.001 A549 1

Data from ChEMBL 36 via Core Engine