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Compound Detail

CHEMBL3597590

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O=C(c1ccccc1-c1ccccc1)N1CCN(c2ncccc2[N+](=O)[O-])CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3597590
Phase Preclinical
Structure Type MOL
InChI Key JYISLSJPMUEIFV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

388.4
MW (Da)
3.62
ALogP
5
HBA
0
HBD
79.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20N4O3
MW 388.43
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.50

Literature References

PubMed DOI Target Context # Activities
26014480 10.1016/j.bmc.2015.05.008 Metabotropic glutamate receptor 5 2

Data from ChEMBL 36 via Core Engine