Details of the Drug

General Information of Drug (ID: DMO7MTX)

Drug Name
N-propylnorapomorphine
Synonyms
N-n-Propylnorapomorphine; 4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-propyl-; 57559-68-9; Propyl-norapomorphine; Propylnorapomorphine; 6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinoline-10,11-diol; (+-)-N-n-Propylnorapomorphine; 10,11-Dihydroxy-6-propylnoraporphine; AC1L1IVU; GTPL934; SCHEMBL249729; R(-)-PROPYLNORAPOMORPHINE; 6-Propyl- 5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinoline-10,11-diol
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 295.4
Logarithm of the Partition Coefficient (xlogp) 3.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C19H21NO2
IUPAC Name
(6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
Canonical SMILES
CCCN1CCC2=C3[C@H]1CC4=C(C3=CC=C2)C(=C(C=C4)O)O
InChI
InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m1/s1
InChIKey
BTGAJCKRXPNBFI-OAHLLOKOSA-N
Cross-matching ID
PubChem CID
167715
ChEBI ID
CHEBI:92234
CAS Number
18426-20-5
TTD ID
D06LQH

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dopamine D1 receptor (D1R) TTZFYLI DRD1_HUMAN Agonist [1]
Dopamine D2 receptor (D2R) TTEX248 DRD2_HUMAN Inhibitor [2]
Dopamine D3 receptor (D3R) TT4C8EA DRD3_HUMAN Agonist [2]
Dopamine D5 receptor (D5R) TTS2PH3 DRD5_HUMAN Agonist [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Somatotropin (GH1) OT92RTRD SOMA_HUMAN Protein Interaction/Cellular Processes [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Dopamine D1 receptor (D1R) DTT DRD1 2.79E-02 -0.53 -0.53
Dopamine D1 receptor (D1R) DTT DRD1 4.77E-01 0.1 0.26
Dopamine D5 receptor (D5R) DTT DRD5 2.59E-01 -0.06 -0.18
Dopamine D5 receptor (D5R) DTT DRD5 8.63E-01 -0.01 -0.08
Dopamine D2 receptor (D2R) DTT DRD2 9.39E-01 -0.01 -0.05
Dopamine D2 receptor (D2R) DTT DRD2 9.91E-01 -0.02 -0.28
Dopamine D3 receptor (D3R) DTT DRD3 5.74E-02 0.05 0.34
Dopamine D3 receptor (D3R) DTT DRD3 2.15E-01 -0.05 -0.46
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Cloning of the gene for a human dopamine D5 receptor with higher affinity for dopamine than D1. Nature. 1991 Apr 18;350(6319):614-9.
2 A functional test identifies dopamine agonists selective for D3 versus D2 receptors. Neuroreport. 1995 Jan 26;6(2):329-32.
3 Treatment of Parkinson's disease with aporphines. Possible role of growth hormone. N Engl J Med. 1976 Mar 11;294(11):567-72. doi: 10.1056/NEJM197603112941101.