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

CHEMBL449415

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
COc1ccc2nc(SCc3ccncc3)[nH]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL449415
Phase Preclinical
Structure Type MOL
InChI Key ITQRPLZARFVXSU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

271.4
MW (Da)
3.26
ALogP
4
HBA
1
HBD
50.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13N3OS
MW 271.35
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.77

Literature References

PubMed DOI Target Context # Activities
18818070 10.1016/j.bmcl.2008.09.033 Bombesin receptor subtype-3 1

Data from ChEMBL 36 via Core Engine