Bioactive Compound Details

BioIDbio44691
NameETILEFRINE
ChEMBL IDCHEMBL86882
Molecular FormulaC10H15NO2
Molecular Weight181.24
Molecular Weight (Monoisotopic)181.1103
TypeSmall molecule
Max PhasePhase 4
Target IDTar10
Target NameP2X purinoceptor 7 (P2RX7)
SynonymsAPOCRETIN|CARDANAT|CIRCUPON|CORCANFOL|DL-ETILEFRIN|EFFONTIL|EFFORTIL|EFFORTIL DEPOT PERLONGETTEN|EFORTIL|ETHYLEFRINE|ETILEFRIN|ETILEFRIN HYDROCHLORIDE|ETILEFRINA|ETILEFRINE|ETILEFRINE HCL|ETILEFRINE HYDROCHLORIDE|KERTASIN|N-ETHYLNORPHENYLEPHRINE|PHETANOL|PULSAMIN|S-40032|S-40032-7|THOMASIN|UPDORMIN
SmilesCCNCC(O)c1cccc(O)c1
InchiInChI=1S/C10H15NO2/c1-2-11-7-10(13)8-4-3-5-9(12)6-8/h3-6,10-13H,2,7H2,1H3
Inchi KeySQVIAVUSQAWMKL-UHFFFAOYSA-N
Molecular SpeciesBASE
Targets12.0
Bioactivities31.0
Np Likeness Score0.26
Records Key['ETILEFRINE', 'SID50085437', '130', 'Etilefrine', 'Etilefrine', '52', '19', 'ETILEFRINE', 'ETILEFRINE', 'etilefrine', 'COVC-3362550878', 'ETILEFRINE', 'BA1000902']
Records Name['ETILEFRINE', 'SID50085437', 'Etilefrine', 'Etilefrine', 'Etilefrine', '3-(2-Ethylamino-1-hydroxy-ethyl)-phenol', '3-(2-(ethylamino)-1-hydroxyethyl)phenol', 'ETILEFRINE', 'ETILEFRINE', 'etilefrine', 'ETILEFRINE', 'ETILEFRINE', 'ETILEFRINE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure