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Compound Detail

CHEMBL4168777

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COc1cc2c(cc1OC)CN(C1CCC3(CC1)O[C@H](CCO)Cc1ccccc13)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4168777
Phase Preclinical
Structure Type MOL
InChI Key LETPUYKGMCRTEV-WVJBAYLNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

437.6
MW (Da)
4.22
ALogP
5
HBA
1
HBD
51.2
PSA (Ų)
0.76
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 C27H35NO4
MW 437.58
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 0.66

Literature References

PubMed DOI Target Context # Activities
30350997 10.1021/acs.jmedchem.8b01183 Sigma non-opioid intracellular receptor 1 1
30350997 10.1021/acs.jmedchem.8b01183 Sigma intracellular receptor 2 1

Data from ChEMBL 36 via Core Engine