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

CHEMBL4066276

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
CC1(N)CCN(c2nc(-c3ccc4cc(CO)ccc4c3)cs2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4066276
Phase Preclinical
Structure Type MOL
InChI Key AGSBHXCKPDBRBL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

353.5
MW (Da)
3.77
ALogP
5
HBA
2
HBD
62.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23N3OS
MW 353.49
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.71

Literature References

PubMed DOI Target Context # Activities
29155585 10.1021/acs.jmedchem.7b01520 Unchecked 1

Data from ChEMBL 36 via Core Engine