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Compound Detail

CHEMBL5202456

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Fc1ccc(CN2C[C@@H]3[C@@H](C2)OCc2c(-c4ncccn4)nnn23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5202456
Phase Preclinical
Structure Type MOL
InChI Key DSPGSHGSYQKWIW-GDBMZVCRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
1.83
ALogP
7
HBA
0
HBD
69.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17FN6O
MW 352.37
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.57

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