DEXFENFLURAMINE

Search structure
Synonyms:
Status: Approved Withdrawn (1997)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A08AA04
UNII: E35R3G56OV

Structure
InChI Key DBGIVFWFUFKIQN-VIFPVBQESA-N
Smile CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1
InChI
InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3/t9-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H16F3N
Molecular Weight 231.26
AlogP 3.25
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 12.03
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 16.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 6.091
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -60.34--3.3
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 3403 - 1944 -
Membrane receptor
- 3403 - 1944 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

MCS

Cross References

Resources Reference
CAS NUMBER 3239-44-9
ChEBI 439329
ChEMBL CHEMBL248702
DrugBank DB01191
DrugCentral 832
FDA SRS E35R3G56OV
Human Metabolome Database HMDB15322
PubChem 66265
SureChEMBL SCHEMBL16706
ZINC ZINC000000000294
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