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Compound Detail

CHEMBL2260846

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CCCc1ccc2c(c1)sc(=O)n2CCN1C[C@]2(C)CCC[C@]2(C)C1

Basic Information

ChEMBL ID CHEMBL2260846
Phase Preclinical
Structure Type MOL
InChI Key FPZLYNBPNTYZTM-OYRHEFFESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

358.6
MW (Da)
4.53
ALogP
4
HBA
0
HBD
25.2
PSA (Ų)
0.78
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 C21H30N2OS
MW 358.55
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.71

Activity Summary

Ki 1 meas. best 8.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sigma non-opioid intracellular receptor 1
CHEMBL4153
Ki 8.85 8.85 1.4 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-005-0131-1 Unchecked 2
- 10.1007/s00044-005-0131-1 Sigma non-opioid intracellular receptor 1 1

Data from ChEMBL 36 via Core Engine