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Compound Detail

CHEMBL607293

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CC[C@H]1C[C@H]2C[C@H]3C4Nc5ccc(OC)cc5C4CCN(C2)C13

Basic Information

ChEMBL ID CHEMBL607293
Phase Preclinical
Structure Type MOL
InChI Key MRZGFGZACXZCAM-GCEBAUNBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

312.5
MW (Da)
3.71
ALogP
3
HBA
1
HBD
24.5
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H28N2O
MW 312.46
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.93

Activity Summary

Ki 1 meas. best 5.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sigma non-opioid intracellular receptor 1
CHEMBL287
Ki 5.07 5.07 8554.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16033255 10.1021/jm049073+ Sigma non-opioid intracellular receptor 1 1

Data from ChEMBL 36 via Core Engine