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Compound Detail

CHEMBL5424587

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CN(C)[C@H](CNC(=O)[C@H]1C[C@@]1(C)c1ccccc1)Cc1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5424587
Phase Preclinical
Structure Type MOL
InChI Key OHCSLZBJYLQKQX-DWLFOUALSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

352.5
MW (Da)
2.96
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28N2O2
MW 352.48
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.13

Literature References

PubMed DOI Target Context # Activities
37414346 10.1016/j.bmcl.2023.129405 ADMET 3
37414346 10.1016/j.bmcl.2023.129405 Mu-type opioid receptor 2

Data from ChEMBL 36 via Core Engine