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Compound Detail

CHEMBL2180154

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O=C(c1ccccc1)N1CCOc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2180154
Phase Preclinical
Structure Type MOL
InChI Key NEFCBSJRCDKHRX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

239.3
MW (Da)
2.73
ALogP
2
HBA
0
HBD
29.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13NO2
MW 239.27
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.38

Literature References

PubMed DOI Target Context # Activities
23075067 10.1021/jm300845v P2X purinoceptor 4 2

Data from ChEMBL 36 via Core Engine