Details of the Drug

General Information of Drug (ID: DMSCIKZ)

Drug Name
Dopexamine
Synonyms Dopacard (TN)
Indication
Disease Entry ICD 11 Status REF
Cardiac failure BD10-BD13 Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 356.5
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 13
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C22H32N2O2
IUPAC Name
4-[2-[6-(2-phenylethylamino)hexylamino]ethyl]benzene-1,2-diol
Canonical SMILES
C1=CC=C(C=C1)CCNCCCCCCNCCC2=CC(=C(C=C2)O)O
InChI
InChI=1S/C22H32N2O2/c25-21-11-10-20(18-22(21)26)13-17-24-15-7-2-1-6-14-23-16-12-19-8-4-3-5-9-19/h3-5,8-11,18,23-26H,1-2,6-7,12-17H2
InChIKey
RYBJORHCUPVNMB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
55483
ChEBI ID
CHEBI:135507
CAS Number
86197-47-9
DrugBank ID
DB12313
TTD ID
D0V7XF

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dopamine D2 receptor (D2R) TTEX248 DRD2_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Cardiac failure
ICD Disease Classification BD10-BD13
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Dopamine D2 receptor (D2R) DTT DRD2 2.50E-02 -0.08 -0.49
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77.