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Compound Detail

CHEMBL136163

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O=C(CC1=CC(=O)OC2C=C(O)C=CC12)NC1CCN(Cc2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL136163
Phase Preclinical
Structure Type MOL
InChI Key CWMJQAWGJPECRR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

394.5
MW (Da)
2.64
ALogP
5
HBA
2
HBD
78.9
PSA (Ų)
0.75
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 C23H26N2O4
MW 394.47
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness 0.29

Literature References

PubMed DOI Target Context # Activities
11728186 10.1021/jm010384j Sigma non-opioid intracellular receptor 1 2
11728186 10.1021/jm010384j Sigma 2 receptor 1

Data from ChEMBL 36 via Core Engine