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

CHEMBL117055

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
CCOc1ccc2nc(SCc3cc(/C=C(\C#N)C(N)=O)cc(OC)c3O)sc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL117055
Phase Preclinical
Structure Type MOL
InChI Key FUUIMNFHXIGCNL-AWNIVKPZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

441.5
MW (Da)
4.09
ALogP
8
HBA
2
HBD
118.5
PSA (Ų)
0.31
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19N3O4S2
MW 441.53
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
7902440 10.1021/jm00075a010 Epidermal growth factor receptor 3
7902440 10.1021/jm00075a010 Epidermal growth factor receptor and ErbB2 (HER1 and HER2) 1

Data from ChEMBL 36 via Core Engine