DIPIVEFRIN

Search structure
Synonyms:
DPE
Status: Approved (1980)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 8Q1PVL543G

Structure
InChI Key OCUJLLGVOUDECM-UHFFFAOYSA-N
Smile CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1
InChI
InChI=1S/C19H29NO5/c1-18(2,3)16(22)24-14-9-8-12(13(21)11-20-7)10-15(14)25-17(23)19(4,5)6/h8-10,13,20-21H,11H2,1-7H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H29NO5
Molecular Weight 351.44
AlogP 2.84
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 84.86
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 25.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 4.042
Enzyme Transferase
- - - - 15.84
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -2.48--1.35

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 4646
ChEMBL CHEMBL1201262
DrugBank DB00449
DrugCentral 922
EPA CompTox DTXSID1048544
FDA SRS 8Q1PVL543G
Human Metabolome Database HMDB14592
Guide to Pharmacology 7166
KEGG C06963
PharmGKB PA449364
PubChem 3105
SureChEMBL SCHEMBL24713
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