DROTAVERINE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Parent
ATC: A03AD02
UNII: 98QS4N58TW

Structure
InChI Key OMFNSKIUKYOYRG-MOSHPQCFSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Phosphodiesterase 4 inhibitor Other Patent Patent
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 37000-37000 - - -
Transporter Primary active transporter ATP-binding cassette ABCC subfamily
- 24500 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 14009-24-6
ChEBI 135630
ChEMBL CHEMBL551978
DrugBank DB06751
DrugCentral 969
EPA CompTox DTXSID60161227
FDA SRS 98QS4N58TW
Human Metabolome Database HMDB0015669
PharmGKB PA165958398
PubChem 1712095
SureChEMBL SCHEMBL196438
ZINC ZINC000100011979
CONTENTS