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Compound Detail

CHEMBL2180164

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CC(C)NC(=O)N1c2ccccc2Oc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2180164
Phase Preclinical
Structure Type MOL
InChI Key NNFGOXFGVWOYNQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

268.3
MW (Da)
4.05
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.85
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 C16H16N2O2
MW 268.32
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.66

Literature References

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

Data from ChEMBL 36 via Core Engine