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Compound Detail

CHEMBL4750183

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O=c1ccoc2ccc(OCCN3CCOCC3)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4750183
Phase Preclinical
Structure Type MOL
InChI Key CKBUKPBEVCRXLI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

275.3
MW (Da)
1.50
ALogP
5
HBA
0
HBD
51.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17NO4
MW 275.30
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.80

Literature References

PubMed DOI Target Context # Activities
34223165 10.1039/d1md00105a Sigma non-opioid intracellular receptor 1 1
34223165 10.1039/d1md00105a Sigma intracellular receptor 2 1
34223165 10.1039/d1md00105a Unchecked 1

Data from ChEMBL 36 via Core Engine