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Compound Detail

CHEMBL3633208

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CC[C@]1(c2ccccc2)COC[C@@H](CN)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3633208
Phase Preclinical
Structure Type MOL
InChI Key GGLACHWGSCCZEZ-CHWSQXEVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

221.3
MW (Da)
1.67
ALogP
3
HBA
1
HBD
44.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H19NO2
MW 221.30
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.49

Literature References

PubMed DOI Target Context # Activities
26430967 10.1021/acs.jmedchem.5b01214 Unchecked 2
26430967 10.1021/acs.jmedchem.5b01214 Sigma non-opioid intracellular receptor 1 1

Data from ChEMBL 36 via Core Engine