DIPHEMANIL

Search structure
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A03AB15
UNII: Q26TX1UD0W

Structure
InChI Key LCTZPQRFOZKZNK-UHFFFAOYSA-N
Smile C[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1
InChI
InChI=1S/C20H24N/c1-21(2)15-13-19(14-16-21)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H24N+
Molecular Weight 278.42
AlogP 4.36
Hydrogen Bond Acceptor 0.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 0.0
Molecular species None
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 2.57
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 0.22-9.93

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 93636
ChEMBL CHEMBL1201340
DrugBank DB13720
DrugCentral 915
EPA CompTox DTXSID7046968
FDA SRS Q26TX1UD0W
PubChem 6127
ZINC ZINC000001482039
CONTENTS