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Compound Detail

CHEMBL229357

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O=C(Nc1ccccc1O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL229357
Phase Preclinical
Structure Type MOL
InChI Key UYKVWAQEMQDRGG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

213.2
MW (Da)
2.64
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C13H11NO2
MW 213.24
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.99

Literature References

PubMed DOI Target Context # Activities
23075067 10.1021/jm300845v P2X purinoceptor 4 2
17428669 10.1016/j.bmc.2007.03.074 Bacillus subtilis 1
17428669 10.1016/j.bmc.2007.03.074 Staphylococcus aureus 1
17428669 10.1016/j.bmc.2007.03.074 Escherichia coli 1
17428669 10.1016/j.bmc.2007.03.074 Aspergillus ficuum 1
17428669 10.1016/j.bmc.2007.03.074 Aspergillus parasiticus 1

Data from ChEMBL 36 via Core Engine