K-134

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Synonyms
Status
Molecule Category Free-form
UNII J9J6NK6W4U
EPA CompTox DTXSID90172346

Structure

InChI Key ULGNGSQNNMKROG-WOJBJXKFSA-N
Smiles O=C(NCCCOc1ccc2[nH]c(=O)ccc2c1)N(C1CC1)[C@@H]1CCCC[C@H]1O
InChI
InChI=1S/C22H29N3O4/c26-20-5-2-1-4-19(20)25(16-7-8-16)22(28)23-12-3-13-29-17-9-10-18-15(14-17)6-11-21(27)24-18/h6,9-11,14,16,19-20,26H,1-5,7-8,12-13H2,(H,23,28)(H,24,27)/t19-,20-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H29N3O4
Molecular Weight 399.49
AlogP 2.77
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 94.66
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 29.0

Pharmacology

Mechanism of Action Action Reference
Phosphodiesterase 3 inhibitor INHIBITOR Other
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Mus musculus
- - - - 88-100
Rattus norvegicus
- - - - 24-29

Target Conservation

Protein: Phosphodiesterase 3
Description: cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B
Organism : Homo sapiens
Q13370 ENSG00000152270
Protein: Phosphodiesterase 3
Description: cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A
Organism : Homo sapiens
Q14432 ENSG00000172572

Cross References

Resources Reference
ChEMBL CHEMBL284838
DrugBank DB12685
FDA SRS J9J6NK6W4U
PubChem 9908900
SureChEMBL SCHEMBL5383733
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