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Compound Detail

CHEMBL45822

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COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1OC1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL45822
Phase Preclinical
Structure Type MOL
InChI Key RPMMBKOXABDREH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

345.8
MW (Da)
4.92
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20ClNO3
MW 345.83
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.87

Literature References

PubMed DOI Target Context # Activities
8201604 10.1021/jm00037a021 Phosphodiesterase 1 1
8201604 10.1021/jm00037a021 Unchecked 1
8201604 10.1021/jm00037a021 Phosphodiesterase 4A 1
8201604 10.1021/jm00037a021 cGMP-specific 3',5'-cyclic phosphodiesterase 1

Data from ChEMBL 36 via Core Engine