PAPAVERINE HYDROCHLORIDE

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: Salt
UNII: 23473EC6BQ
Parent Compound: PAPAVERINE

Structure
InChI Key UOTMYNBWXDUBNX-UHFFFAOYSA-N
Smile COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.Cl
InChI
InChI=1S/C20H21NO4.ClH/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;/h5-8,10-12H,9H2,1-4H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H22ClNO4
Molecular Weight 375.85
AlogP 3.86
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 49.81
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 25.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 114

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
ChEMBL CHEMBL98123
EPA CompTox DTXSID9025825
FDA SRS 23473EC6BQ
PubChem 6084
SureChEMBL SCHEMBL121268
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