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

CHEMBL282383

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
CC[C@]1(c2cccc(N=C=S)c2)OC[C@H]([C@@H]2CCCCN2)O1

Basic Information

ChEMBL ID CHEMBL282383
Phase Preclinical
Structure Type MOL
InChI Key YLEFFVJJULTPHH-BBWFWOEESA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
3.54
ALogP
5
HBA
1
HBD
42.9
PSA (Ų)
0.68
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 C17H22N2O2S
MW 318.44
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.56

Activity Summary

Ki 2 meas. best 7.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
Ki 7.03 7.03 94.0 1
Rattus norvegicus
CHEMBL376
Ki 6.23 6.23 590.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8355251 10.1021/jm00069a008 Glutamate NMDA receptor 2
1349351 10.1021/jm00086a001 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine