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

CHEMBL1377718

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
COc1ccc(-c2nc(C[S+]([O-])CC(=O)NCCCN3CC(C)CC(C)C3)c(C)o2)cc1OC

Basic Information

ChEMBL ID CHEMBL1377718
Phase Preclinical
Structure Type MOL
InChI Key ACHKTXISANCDGT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

491.6
MW (Da)
3.40
ALogP
7
HBA
1
HBD
99.9
PSA (Ų)
0.38
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H37N3O5S
MW 491.65
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.99

Data from ChEMBL 36 via Core Engine