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Compound Detail

CHEMBL44967

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COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1OC1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL44967
Phase Preclinical
Structure Type MOL
InChI Key PQTODMXHRSYWMR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

380.3
MW (Da)
5.58
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.74
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19Cl2NO3
MW 380.27
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.98

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