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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL59
CHEMBL59
Compound Name DOPAMINE
ChEMBL Synonyms Sabax Dopamin | Dopamin-Natterman | Dynatra | ASL-279 | Dopamine HCl | Intropin | Dopamine | Parcopa | Sinemet | Carbilev
Max Phase 4 (Approved)
Trade Names Dynatra | Intropin | Dopamine HCl | Sabax Dopamin | Dopamin-Natterman
Molecular Formula C8H11NO2

Additional synonyms for CHEMBL59 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCc1ccc(O)c(O)c1
Standard InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3 ...
Download InChI
Standard InChI Key VYFYYTLLBUKUHU-UHFFFAOYSA-N

Mechanism of Action

Mechanism of Action ChEMBL Target References
Beta-1 adrenergic receptor agonist Beta-1 adrenergic receptor DailyMed

Molecule Features

CHEMBL59 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:Y Availability Type:Prescription-only

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are 2 structural alerts for CHEMBL59. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL59

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL59. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL3833 Trace amine-associated receptor 1 Rattus norvegicus 1.000
CHEMBL4908 Trace amine-associated receptor 1 Mus musculus 0.991
CHEMBL312 Arachidonate 5-lipoxygenase Rattus norvegicus 0.991
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 0.979
CHEMBL3471 Human immunodeficiency virus type 1 integrase Human immunodeficiency virus 1 0.935
CHEMBL3510 Carbonic anhydrase XIV Homo sapiens 0.901
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 0.874
CHEMBL2326 Carbonic anhydrase VII Homo sapiens 0.869
CHEMBL4150 Enoyl-acyl-carrier protein reductase Plasmodium falciparum 0.831
CHEMBL5857 Trace amine-associated receptor 1 Homo sapiens 0.714
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 0.704
CHEMBL5337 Carbonic anhydrase Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast) 0.565
CHEMBL5619 DNA-(apurinic or apyrimidinic site) lyase Homo sapiens 0.524
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 0.444
CHEMBL205 Carbonic anhydrase II Homo sapiens 0.325
CHEMBL2056 Dopamine D1 receptor Homo sapiens 0.241
CHEMBL2903 Arachidonate 15-lipoxygenase Homo sapiens 0.238



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3833 Trace amine-associated receptor 1 Rattus norvegicus 1.000
CHEMBL3471 Human immunodeficiency virus type 1 integrase Human immunodeficiency virus 1 0.999
CHEMBL4908 Trace amine-associated receptor 1 Mus musculus 0.994
CHEMBL312 Arachidonate 5-lipoxygenase Rattus norvegicus 0.990
CHEMBL5857 Trace amine-associated receptor 1 Homo sapiens 0.984
CHEMBL2326 Carbonic anhydrase VII Homo sapiens 0.984
CHEMBL3510 Carbonic anhydrase XIV Homo sapiens 0.984
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.965
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 0.962
CHEMBL3252 Beta-1 adrenergic receptor Rattus norvegicus 0.950
CHEMBL3025 Carbonic anhydrase VI Homo sapiens 0.948
CHEMBL3729 Carbonic anhydrase IV Homo sapiens 0.924
CHEMBL4150 Enoyl-acyl-carrier protein reductase Plasmodium falciparum 0.892
CHEMBL3969 Carbonic anhydrase VB Homo sapiens 0.881
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 0.842
CHEMBL5973 Carbonic anhydrase 15 Mus musculus 0.774
CHEMBL2980 Arachidonate 5-lipoxygenase Bos taurus 0.764
CHEMBL3242 Carbonic anhydrase XII Homo sapiens 0.723
CHEMBL3402 Alkaline phosphatase placental-like Homo sapiens 0.718
CHEMBL5337 Carbonic anhydrase Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast) 0.708

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
153.2 153.079 0.77 2 66.48 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 3 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.39 10.11 .05 -2.21 1 11 0.55

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C01 - CARDIAC THERAPY
C01C - CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
C01CA - Adrenergic and dopaminergic agents
C01CA04 - dopamine

ChemSpider ChemSpider:VYFYYTLLBUKUHU-UHFFFAOYSA-N
DailyMed dopamine hydrochloride
PubChem SID: 104171172 SID: 11111282 SID: 124880336 SID: 124880337 SID: 124880340 SID: 144203718 SID: 170464942 SID: 26750067 SID: 26753786 SID: 26753787 SID: 50107800 SID: 57288369 SID: 90341661
Wikipedia Dopamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL59



ACToR 50444-17-2 51-61-6
Atlas dopamine
BindinDB 55121
ChEBI 18243
DrugBank DB00988
eMolecules 739600
FDA SRS VTD58H1Z2X
Guide to Pharmacology 940
Human Metabolome Database HMDB00073
IBM Patent System 96CD1346AC554463B47A68C91EDAE414
IBM Patents US3983234 WO1997029114A1 WO1995004073A1 WO2000069448A1 EP1181014A1 US4935511 US20090269772 US20060134782 US20030077734 US20090270625 US20090192143 WO2009112541A2 EP0912552A1 US20090203682 WO1997017967A1 US20100048911 EP1572875A2 US20100120068 US5981223 US4933445 US20090297448 US20030216304 EP1556705A2 WO2006122549A2 US20030208152 EP1864967A1 EP1670477A2 WO2003055983A2 WO1991012339A2 WO2009053885A2 EP1570262A1 EP1545750A2 US20080160166 US4207343 US20060275263 WO2008012511A1 US20040043920 US5532249 WO1994015618A1 US20050181076 EP1732557A1 US6562813 US20060193831 US20020086850 EP1065205B1 EP1740610A2 WO2010128191A1 US20090093542 EP1699766A1 US6919332 EP1237553A2 EP1701767A2 US6800627 EP1590431A2 EP1414940A2 WO2008068778A2 EP1642583A2 WO1995005176A1 US6306663 US20090286836 US5474535 WO2000009088A1 US6469002 US6261583 EP1151101A1 US20030232841 EP0651801B1 EP1826195A1 WO2006038084A1 EP1931320A2 EP2044025A1 WO2001081416A2 WO2007061805A2 US20050256101 WO2004008279A2 WO2009105709A1 EP0900241B1 EP0801527B1 US20080233085 US6211173 US20070099955 WO2006047288A2 WO2005105744A1 US7465707 US20070196272 US20080132486 US20080267981 US20060058221 WO1993004682A1 EP0030081A1 US20080260825 US6949573 EP1896091A2 EP1500707A1 WO2004105798A1 US7671212 EP0507224B1 US20080110792 WO2005085867A2 WO1998035942A1
KEGG Ligand C03758
LINCS LSM-4630
Mcule MCULE-7558764100
Nikkaji J4.120C
PDBe LDP
PharmGKB PA449396
PubChem 681
PubChem: Thomson Pharma 15170929
SureChEMBL SCHEMBL8505

UniChem REST Service Call: https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/VYFYYTLLBUKUHU-UHFFFAOYSA-N spacer
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