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Compound Detail

CHEMBL5205938

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CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C1)OCc1c(-c3ccccc3F)nnn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5205938
Phase Preclinical
Structure Type MOL
InChI Key SZZUTQVJRKTSPC-UKRRQHHQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
2.77
ALogP
6
HBA
0
HBD
69.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21FN4O3
MW 360.39
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.30

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