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Compound Detail

CHEMBL1098503

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COc1ccc2c(c1OC1CCCC1)OCCC2Nc1c(Cl)cncc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1098503
Phase Preclinical
Structure Type MOL
InChI Key JSIJDONSUVBYPF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

409.3
MW (Da)
5.65
ALogP
5
HBA
1
HBD
52.6
PSA (Ų)
0.69
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 C20H22Cl2N2O3
MW 409.31
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.13

Literature References

PubMed DOI Target Context # Activities
20378348 10.1016/j.bmcl.2010.03.023 3',5'-cyclic-AMP phosphodiesterase 4B 1
20378348 10.1016/j.bmcl.2010.03.023 Unchecked 1

Data from ChEMBL 36 via Core Engine