DIPHENIDOL

Search structure
Synonyms:
Status: Approved (1967)
Entry Type: Small molecule
Molecule Category: Parent
UNII: NQO8R319LY

Structure
InChI Key OGAKLTJNUQRZJU-UHFFFAOYSA-N
Smile OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1
InChI
InChI=1S/C21H27NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1-2,4-7,11-14,23H,3,8-10,15-18H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H27NO
Molecular Weight 309.45
AlogP 4.19
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 23.47
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 23.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 326.3 - - -
Enzyme Hydrolase
- - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -4.16-18.2
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 3400 - - 65.1
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- 1191 - 274 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 4760 - 2635 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 2311 - 1097 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 2586 - 739 -
Membrane receptor
- 1191 - 108 -

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 4638
ChEMBL CHEMBL936
DrugBank DB01231
DrugCentral 313
EPA CompTox DTXSID3022950
FDA SRS NQO8R319LY
Human Metabolome Database HMDB15361
Guide to Pharmacology 7163
KEGG C06961
PharmGKB PA164746037
PubChem 3055
SureChEMBL SCHEMBL34469
ZINC ZINC000000968266
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