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Compound Detail

CHEMBL3103368

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COC1=Cc2ccccc2N(C(N)=O)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3103368
Phase Preclinical
Structure Type MOL
InChI Key PIZOFBKQWNPKDK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

266.3
MW (Da)
3.36
ALogP
2
HBA
1
HBD
55.6
PSA (Ų)
0.86
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 C16H14N2O2
MW 266.30
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.39

Literature References

PubMed DOI Target Context # Activities
24411477 10.1016/j.bmc.2013.12.035 P2X purinoceptor 4 2
- 10.1039/C3MD00397C HepG2 1

Data from ChEMBL 36 via Core Engine