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Compound Detail

CHEMBL244137

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CC1N=C(CC(=O)O)C(c2ccccc2)=N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL244137
Phase Preclinical
Structure Type MOL
InChI Key LLSCYZIDADQHOB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

216.2
MW (Da)
1.75
ALogP
3
HBA
1
HBD
62.0
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H12N2O2
MW 216.24
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.06

Literature References

PubMed DOI Target Context # Activities
17655213 10.1021/jm070447j Unchecked 3

Data from ChEMBL 36 via Core Engine