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Compound Detail

CHEMBL4079320

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COc1cccc(CNC(=O)c2cnn3cc(C)cnc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4079320
Phase Preclinical
Structure Type MOL
InChI Key AKVFOYFUVUJANO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

296.3
MW (Da)
1.98
ALogP
5
HBA
1
HBD
68.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16N4O2
MW 296.33
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -2.04

Literature References

PubMed DOI Target Context # Activities
28759228 10.1021/acs.jmedchem.7b00709 cGMP-dependent 3',5'-cyclic phosphodiesterase 1

Data from ChEMBL 36 via Core Engine