UCSF

ZINC22116612

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 21 Yes

Popular Name: Fenoldopam Fenoldopam

Find On: PubMed — Wikipedia — Google

CAS Numbers: 67227-56-9 , 67227-57-0 , 67227-57-0  , 67287-54-1 , [67227-56-9] , [67227-57-0]

Other Names:

1H-3-Benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-1-(4-hydroxyphenyl)-

1H-3-Benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-1-(4-hydroxyphenyl)-, methanesulfonate (salt); 6-Chloro-2,3,4,5-tetrahydro-1-(p-hydroxyphenyl)-1H-3-benzazepine-7,8-diol methanesulfonate (salt); 6-Chloro-2,3,4,5-tetrahydro-7,8-dihydroxy-1-(p-hydroxy

6-chloro-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol

6-chloro-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide

6-Chloro-2,3,4,5-tetrahydro-1-(4-hydroxyphenyl)-1H-3-benzazepine-7,8-diol mesylate

67227-56-9

67227-56-9; C07693; Fenoldopam

67227-56-9; Carlacor (TN); D07946; Fenoldopam (INN)

67227-57-0 (mesylate)

67227-57-0; Corlopam (TN); D00613; Fenoldopam mesylate (USP)

67287-54-1 (hydrobromide)

8-Chloro-2-(4-hydroxyphenyl)-4-azabicyclo[5.4.0]undeca-7,9,11-triene-9,10-diol methanesulphonate

87900-90-1

9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol

AC1L1FPQ

AC1Q3LHG

AR-1L4264

Biomol-NT_000042

BPBio1_001265

BRD-A50684349-001-01-5

C07693

Carlacor

Carlacor (TN)

CHEBI:5002

CHEMBL588

CID3341

Corlopam

CPD000469190; FENOLDOPAM MESYLATE

CPD000469190; FENOLDOPAM MESYLATE; SAM001246665

D07946

DAP000254

DB00800

FDA)

Fenodopam mesylate

FENOLDIPAM MESYLATE

Fenoldopam (BAN

Fenoldopam (INN)

FENOLDOPAM HYDROCHLORIDE

Fenoldopam mesilate

Fenoldopam Mesylate

Fenoldopam Mesylate (FDA

Fenoldopam [INN:BAN]

fenoldopam; fenoldopamum

Fenoldopamum

Fenoldopamum [Latin]

HMS2090G16

INN)

INN); Fenoldopam mesylate (FDA

INN); Fenoldopam Mesylate (USAN

L000254

LS-27993

MFCD00865806

MFCD04038811

MFCD04112986

MFCD27977921

NCGC00015444-05

NCGC00025246-02

NCGC00025246-03

PDSP1_001661

PDSP2_001645

SK&F-82526

SK&F-82526; SK-82526; SK&F-82526J; SK-82526-J

SK&F-82526J

SK-82526

SK-82526-J

SKF 82526

SKF 82526-J

SKF-82526J

UNII-INU8H2KAWG

USAN

USP

USP)

USP); Fenoldopam (BAN

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) 2.29 1.86 -71.95 4 4 0 80 305.761 1 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.72e-01 g/l DrugBank-approved
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Therapy antihypertensive, dopamine agonist SMDC Pharmakon
Patent Database Links EP1776955; EP1808169; EP1862181; EP1987815; US2002115655; US2005065209; US2007191330; US2007264334; US2008255073; WO2007128349; WO2008150954 ChEBI
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP00426r; 1 methanesulfonic acid NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP00426r; SALT: 1 methanesulfonic acid NIH Clinical Collection via PubChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 40 0.49 Binding ≤ 10μM
KD4DL-1-E Lysine-specific Demethylase 4D-like (cluster #1 Of 1), Eukaryotic Eukaryotes 1920 0.38 Binding ≤ 10μM
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 57 0.48 Functional ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 10000 0.33 Functional ≤ 10μM
Z50592-3-O Oryctolagus Cuniculus (cluster #3 Of 8), Other Other 1200 0.39 Functional ≤ 10μM
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 57 0.48 Functional ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 2700 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 3 0.57 Binding ≤ 1μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 28 0.50 Binding ≤ 1μM
DRD2_BOVIN P20288 Dopamine D2 Receptor, Bovin 790 0.41 Binding ≤ 1μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 810 0.41 Binding ≤ 1μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 28 0.50 Binding ≤ 10μM
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 3 0.57 Binding ≤ 10μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 1300 0.39 Binding ≤ 10μM
DRD2_BOVIN P20288 Dopamine D2 Receptor, Bovin 1580 0.39 Binding ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 810 0.41 Binding ≤ 10μM
KD4DL_HUMAN B2RXH2 Lysine-specific Demethylase 4D-like, Human 1920 0.38 Binding ≤ 10μM
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 57 0.48 Functional ≤ 10μM
Z50592 Z50592 Oryctolagus Cuniculus 1000 0.40 Functional ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 10000 0.33 Functional ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 48 0.49 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine receptors
G alpha (i) signalling events
G alpha (s) signalling events

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