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

CHEMBL1182530

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
C(=C/c1sc(Nc2ccccc2)n[n+]1-c1ccccc1)\c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1182530
Phase Preclinical
Structure Type MOL
InChI Key PTSQHEQDJSBJCM-WUKNDPDISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

356.5
MW (Da)
5.33
ALogP
3
HBA
1
HBD
28.8
PSA (Ų)
0.49
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18N3S+
MW 356.47
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.67

Data from ChEMBL 36 via Core Engine