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Compound Detail

CHEMBL2180159

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O=C(Cc1ccccc1)N1c2ccccc2Oc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2180159
Phase Preclinical
Structure Type MOL
InChI Key YPGJNIKJFWZBTG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

301.4
MW (Da)
4.70
ALogP
2
HBA
0
HBD
29.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15NO2
MW 301.35
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.45

Literature References

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

Data from ChEMBL 36 via Core Engine