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

CHEMBL4802736

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
CCn1c(=O)/c(=C2\Sc3ccccc3N2C)s/c1=C/c1cc[n+](CCO)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4802736
Phase Preclinical
Structure Type MOL
InChI Key ILCDUZVXTHNNIM-XUTLUUPISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

412.6
MW (Da)
1.35
ALogP
6
HBA
1
HBD
49.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22N3O2S2+
MW 412.56
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.64

Data from ChEMBL 36 via Core Engine