UCSF

ZINC00057321

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 22 Yes

Other Names:

terol

1,3-Benzenediol, 5-(1-hydroxy-2-((2-(4-hydroxyphenyl)-1-methylethyl)amino)ethyl)-

1,3-Benzenediol, 5-(1-hydroxy-2-((2-(4-hydroxyphenyl)-1-methylethyl)amino)ethyl)-, HBr; 1-(3,5-Dihydroxy-phenyl)-2-((1-(4-hydroxybenzyl)ethyl)amino)-ethanol hydrobromide; 5-(1-Hydroxy-2-((2-(4-hydroxyphenyl)-1-methylethyl)amino)ethyl)resorcinol hydrobromi

1,3-benzenediol, 5-[1-hydroxy-2-[[2-(4-hydroxyphenyl)-1-methylethyl]amino]ethyl]-, hydrobromide

1-(3,5-Dihydroxyphenyl)-1-hydroxy-2-((4-hydroxyphenyl)isopropylamino)ethane

1-(3,5-dihydroxyphenyl)-1-hydroxy-2-((4-hydroxyphenyl)isopropylamino)ethane; 1-(p-hydroxyphenyl)-2-((beta-hydroxy-beta-(3',5'-dihydroxyphenyl))ethyl)aminopropane; 3,5-dihydroxy-alpha-(((p-hydroxy-alpha-methylphenethyl)amino)methyl)benzyl alcohol; 5-{1-Hyd

1-(p-Hydroxyphenyl)-2-((beta-hydroxy-beta-(3',5'-dihydroxyphenyl))ethyl)aminopropane

13392-18-2

13392-18-2; D04157; Fenoterol (USAN/INN)

1944-10-1

1944-12-3 (hydrobromide)

1944-12-3; Berotec (TN); D01428; Fenoterol hydrobromide (JAN)

1944-12-3; Fenoterol hydrobromide; Prestwick_667

3,5-Dihydroxy-alpha-(((p-hydroxy-alpha-methylphenethyl)amino)methyl)benzyl alcohol

5-(1-hydroxy-2-{[1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl)benzene-1,3-diol

5-(1-hydroxy-2-{[2-(4-hydroxyphenyl)-1-methylethyl]amino}ethyl)-1,3-benzenediol hydrobromide

5-(1-hydroxy-2-{[2-(4-hydroxyphenyl)-1-methylethyl]amino}ethyl)benzene-1,3-diol

5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol

5-{1-Hydroxy-2-[2-(4-hydroxy-phenyl)-1-methyl-ethylamino]-ethyl}-benzene-1,3-diol

AB00053590

AC-13630

AC1L1FPW

AC1Q79W3

AR-1L6635

Benzyl alcohol, 3,5-dihydroxy-.alpha.-(((p-hydroxy-.alpha.-methylphenethyl)amino)methyl)-

Benzyl alcohol, 3,5-dihydroxy-alpha-(((p-hydroxy-alpha-methylphenethyl)amino)methyl)-

Berotec

Berotek

BPBio1_000204

BRD-A97104540-004-04-4

BRN 2157041

BSPBio_000184

CHEBI:149226

CHEMBL32800

CID3343

D04157

DAP000946

DB01288

DivK1c_000405

Fenoterol

Fenoterol (BAN

Fenoterol (USAN/INN)

fenoterol HBr; fenoterol bromide; phenoterol hydrobromide

Fenoterol [USAN:BAN:INN]

fenoterol; fenoterolum

Fenoterolum

Fenoterolum [inn-latin]

Fenoterolum [inn-latin];Phenoterol

IDI1_000405

INN

INN); Fenoterol Hydrobromide (JAN)

KBio1_000405

KBio2_001726

KBio2_004294

KBio2_006862

KBio3_001890

KBioGR_001507

KBioSS_001726

L000255

LS-42858

MFCD00079288

MFCD00242675

MolPort-002-052-088

NCGC00015430-03

NCGC00162181-01

NINDS_000405

p-Hydroxyphenyl-orciprenaline

p-Hydroxyphenylorciprenaline

Phenoterol

Prestwick0_000282

Prestwick1_000282

Prestwick2_000282

Prestwick3_000282

SPBio_001376

SPBio_002403

Spectrum2_001388

Spectrum3_000915

Spectrum4_001014

Spectrum5_001572

Spectrum_001246

TH 1165

TH 1165A

Th-1165a

TH-1165A [As Hydrobromide Salt]

UNII-22M9P70OQ9

USAN

USAN); Fenoterol Hydrobromide (JAN)

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.54 -1.31 -49.58 6 5 1 98 304.366 6

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.62e-01 g/l DrugBank-approved
Indications antiasthmatic KeyOrganics Bioactives
Therapy betaadrenergic agonist SMDC MicroSource

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ADRB2-1-E Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 60 0.46 Binding ≤ 10μM
ADRB2-1-E Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 8200 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ADRB2_HUMAN P07550 Beta-2 Adrenergic Receptor, Human 60 0.46 Binding ≤ 1μM
ADRB2_HUMAN P07550 Beta-2 Adrenergic Receptor, Human 60 0.46 Binding ≤ 10μM
ADRB2_CAVPO Q8K4Z4 Beta-2 Adrenergic Receptor, Guinea Pig 18 0.49 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Adrenoceptors
G alpha (s) signalling events

Analogs ( Draw Identity 99% 90% 80% 70% )