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Compound Detail

CHEMBL344855

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CN1CC(=O)N2[C@@H](c3ccc4c(c3)OCO4)c3[nH]c4ccccc4c3C[C@H]2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL344855
Phase Preclinical
Structure Type MOL
InChI Key WOXKDUGGOYFFRN-KKSFZXQISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

389.4
MW (Da)
2.21
ALogP
4
HBA
1
HBD
74.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C22H19N3O4
MW 389.41
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.17

Literature References

PubMed DOI Target Context # Activities
14521415 10.1021/jm0300577 cGMP-specific 3',5'-cyclic phosphodiesterase 1

Data from ChEMBL 36 via Core Engine