UK-500001

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Synonyms
Status
Molecule Category Free-form
UNII YOG0PR3Q8J

Structure

InChI Key OHIUQAZROSYCMC-CALCHBBNSA-N
Smiles Cc1ccc(O)c(C(=O)N[C@H]2CC[C@@H](NC(=O)c3cc(F)cnc3Oc3ccc(F)c(F)c3)CC2)c1
InChI
InChI=1S/C26H24F3N3O4/c1-14-2-9-23(33)19(10-14)24(34)31-16-3-5-17(6-4-16)32-25(35)20-11-15(27)13-30-26(20)36-18-7-8-21(28)22(29)12-18/h2,7-13,16-17,33H,3-6H2,1H3,(H,31,34)(H,32,35)/t16-,17+

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H24F3N3O4
Molecular Weight 499.49
AlogP 4.78
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 100.55
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 36.0

Pharmacology

Mechanism of Action Action Reference
Phosphodiesterase isozyme 4 inhibitor INHIBITOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4A
- 0.38 - - -
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4B
- 0.38-0.631 - - -
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4D
- 0.38 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.38-3.981 - - -
Rattus norvegicus
- 39.81 - - -

Cross References

Resources Reference
ChEMBL CHEMBL3113734
DrugBank DB12837
FDA SRS YOG0PR3Q8J
PubChem 9876393
SureChEMBL SCHEMBL1682956
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