DROTAVERINE

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Synonyms
Status
Molecule Category Free-form
ATC A03AD02
UNII 98QS4N58TW
EPA CompTox DTXSID60161227

Structure

InChI Key OMFNSKIUKYOYRG-MOSHPQCFSA-N
Smiles CCOc1ccc(/C=C2\NCCc3cc(OCC)c(OCC)cc32)cc1OCC
InChI
InChI=1S/C24H31NO4/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20/h9-10,13-16,25H,5-8,11-12H2,1-4H3/b20-13-

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H31NO4
Molecular Weight 397.52
AlogP 4.93
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 48.95
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 29.0

Pharmacology

Mechanism of Action Action Reference
Phosphodiesterase 4 inhibitor INHIBITOR Other Patent Patent

Target Conservation

Protein: Phosphodiesterase 4
Description: cAMP-specific 3',5'-cyclic phosphodiesterase 4A
Organism : Homo sapiens
P27815 ENSG00000065989
Protein: Phosphodiesterase 4
Description: cAMP-specific 3',5'-cyclic phosphodiesterase 4B
Organism : Homo sapiens
Q07343 ENSG00000184588
Protein: Phosphodiesterase 4
Description: cAMP-specific 3',5'-cyclic phosphodiesterase 4C
Organism : Homo sapiens
Q08493 ENSG00000105650
Protein: Phosphodiesterase 4
Description: cAMP-specific 3',5'-cyclic phosphodiesterase 4D
Organism : Homo sapiens
Q08499 ENSG00000113448

Cross References

Resources Reference
ChEBI 135630
ChEMBL CHEMBL551978
DrugBank DB06751
DrugCentral 969
FDA SRS 98QS4N58TW
Human Metabolome Database HMDB0015669
PharmGKB PA165958398
PubChem 1712095
SureChEMBL SCHEMBL196438
ZINC ZINC000100011979
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