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Compound Detail

CHEMBL4448259

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COc1ccc(CNc2nncc3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4448259
Phase Preclinical
Structure Type MOL
InChI Key ABKDMLOQVHLCID-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

265.3
MW (Da)
3.25
ALogP
4
HBA
1
HBD
47.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15N3O
MW 265.32
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.22

Literature References

PubMed DOI Target Context # Activities
31158744 10.1016/j.ejmech.2019.05.026 cGMP-specific 3',5'-cyclic phosphodiesterase 2

Data from ChEMBL 36 via Core Engine