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

CHEMBL6054488

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
O=C(NC1CCOCC1)c1csc([C@@H]2C[C@@H]2NC2CCC2)c1

Basic Information

ChEMBL ID CHEMBL6054488
Phase Preclinical
Structure Type MOL
InChI Key CGTUABNRJYZTFD-CABCVRRESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

320.5
MW (Da)
2.65
ALogP
4
HBA
2
HBD
50.4
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H24N2O2S
MW 320.46
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.88

Activity Summary

IC50 1 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.89 6.89 130.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 130.0 nM 6.89 Inhibitory Activity Assay: A test compound dissolved in DMSO was added by to a r... -

Data from ChEMBL 36 via Core Engine