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Compound Detail

CHEMBL433528

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COc1ccc(-c2cnc(N3CCc4c([nH]c5ccccc45)C3c3ccc(OC)c(OC)c3)nc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL433528
Phase Preclinical
Structure Type MOL
InChI Key BELMOGNPFBFMDN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

492.6
MW (Da)
5.80
ALogP
6
HBA
1
HBD
72.5
PSA (Ų)
0.32
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H28N4O3
MW 492.58
Aromatic Rings 5
Heavy Atoms 37
NP-Likeness -0.35

Literature References

PubMed DOI Target Context # Activities
12639576 10.1016/s0960-894x(02)01036-3 cGMP-specific 3',5'-cyclic phosphodiesterase 1

Data from ChEMBL 36 via Core Engine