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

CHEMBL2093981

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
CN(C(=O)Cc1cccc2sccc12)[C@@H]1CCCC[C@H]1N1CCC[C@H]1CO.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2093981
Phase Preclinical
Structure Type MOL
InChI Key LPDZLWYIKKSTKH-OCIYDRMTSA-N
Parent Compound CHEMBL2110033
Active Moiety CHEMBL2110033
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

386.6
MW (Da)
3.67
ALogP
4
HBA
1
HBD
43.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H31ClN2O2S
MW 423.02
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.91

Literature References

PubMed DOI Target Context # Activities
2567782 10.1021/jm00127a036 Kappa-type opioid receptor 1
2567782 10.1021/jm00127a036 Mu-type opioid receptor 1
2567782 10.1021/jm00127a036 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine