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Compound Detail

CHEMBL5194191

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c1ccc(-c2nnn3c2CO[C@@H]2CN(c4ccccc4)C[C@H]23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5194191
Phase Preclinical
Structure Type MOL
InChI Key YZUZUSOEHIKFHT-SJLPKXTDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
2.91
ALogP
5
HBA
0
HBD
43.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N4O
MW 318.38
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.10

Literature References

PubMed DOI Target Context # Activities
33826322 10.1021/acs.jmedchem.1c00244 Sigma non-opioid intracellular receptor 1 1

Data from ChEMBL 36 via Core Engine