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

CHEMBL50780

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
CCCCN(CCCC)CCCOc1ccc(-c2csc(-c3ccc(OC)cc3)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL50780
Phase Preclinical
Structure Type MOL
InChI Key CMTXZEKFSMZELH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

452.7
MW (Da)
7.16
ALogP
5
HBA
0
HBD
34.6
PSA (Ų)
0.24
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H36N2O2S
MW 452.66
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.23

Data from ChEMBL 36 via Core Engine