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Compound Detail

CHEMBL2180180

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c1ccc(CN2c3ccccc3Oc3ccccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2180180
Phase Preclinical
Structure Type MOL
InChI Key GQVHHJFINFPLNI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

273.3
MW (Da)
5.13
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.64
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15NO
MW 273.34
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.70

Literature References

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

Data from ChEMBL 36 via Core Engine