UCSF

ZINC00057623

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 12 No

Popular Name: noradrenaline noradrenaline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1212364-72-1 , 138-65-8 , 149-95-1 , 339091-66-6 , 3414-63-9 , 51-40-1 , 51-41-2 , 55-27-6 , 636-88-4 , 69815-49-2, 51-40-1 [anhydrous], 51-41-2 [norepinephrine] , [55-27-6]

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) -1.04 -4.76 -51.58 6 4 1 88 170.188 2 ↓
Hi High (pH 8-9.5) -1.04 -5.21 -8.21 5 4 0 87 169.18 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 103 - 105 Enamine Building Blocks
MP 103...105 Enamine Building Blocks
UniProt Database Links 5HT1A_MOUSE; AA2DA_DANRE; AA2DB_DANRE; ADA2A_DANRE; ADA2A_HUMAN; ADA2B_DANRE; ADA2B_HUMAN; ADA2C_DANRE; ADRB1_BOVIN; ADRB1_CANFA; ADRB1_FELCA; ADRB1_HUMAN; ADRB1_MACMU; ADRB1_MELGA; ADRB1_MERUN; ADRB1_MOUSE; ADRB1_PIG; ADRB1_RAT; ADRB1_SHEEP; ADRB2_BOVIN ChEBI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% APIChem
Therapy adrenergic agonist, antihypotensive SMDC Pharmakon
Patent Database Links EP1082960; EP1364957; EP1364958; EP1400529; EP1408038; EP1577317; EP1637531; EP1666468; EP1772767; EP1787657; EP1795196; EP1815846; EP1829527; EP1829528; EP1829582; EP1859807; EP1860100; EP1884513; EP1914233; EP1961745; EP1961754; EP1980271; GB2209748; US ChEBI
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : MZ-3018; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER; 1 hydrogen chloride NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: MZ-3018; SALT: 1 hydrogen chloride; SUPPLIER_COMMENTS: WHITE POWDER NIH Clinical Collection via PubChem
Target Sterol O-acyltransferase 1(P35610)&Sterol O-acyltransferase 2(O75908)&Microsomal triglyceride transfer protein large subunit(P55157)&Low-density lipoprotein receptor(P01130)&3-hydroxy-3-methylglutaryl-coenzyme A reductase(P04035)&Multidrug resistance-asso Herbal Ingredients Targets

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-11-O Plasmodium Falciparum (cluster #11 Of 22), Other Other 7943 0.60 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 7943.28235 0.59 Functional ≤ 10μM

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