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Compound Detail

CHEMBL5176858

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Fc1ccc(-c2nnn3c2CO[C@@H]2CN(C4CCOCC4)C[C@H]23)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5176858
Phase Preclinical
Structure Type MOL
InChI Key XHLJXXYXMXBPCH-GDBMZVCRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
1.41
ALogP
7
HBA
0
HBD
65.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20FN5O2
MW 345.38
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.17

Literature References

PubMed DOI Target Context # Activities
33826322 10.1021/acs.jmedchem.1c00244 Sigma non-opioid intracellular receptor 1 2
33826322 10.1021/acs.jmedchem.1c00244 Sigma intracellular receptor 2 2
33826322 10.1021/acs.jmedchem.1c00244 No relevant target 1

Data from ChEMBL 36 via Core Engine