Details of the Drug

General Information of Drug (ID: DMLXB62)

Drug Name
(R)-(-)-2-methoxy-N-npropylnorapomorphine
Synonyms
2-Methoxy-N-n-propylnorapomorphine; CHEMBL53294; 126874-82-6; 2-Mnpna; (R)-(-)-2-methoxy-N-npropylnorapomorphine; AC1L2Y8J; SCHEMBL12284193; DTXSID70155319; 2-Methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol; BDBM50010692; (R)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol; 4H-dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-2-methoxy-6-propyl-, (R)-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 325.4
Logarithm of the Partition Coefficient (xlogp) 3.2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C20H23NO3
IUPAC Name
(6aR)-2-methoxy-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)OC)C(=C(C=C4)O)O
InChI
InChI=1S/C20H23NO3/c1-3-7-21-8-6-13-9-14(24-2)11-15-18(13)16(21)10-12-4-5-17(22)20(23)19(12)15/h4-5,9,11,16,22-23H,3,6-8,10H2,1-2H3/t16-/m1/s1
InChIKey
WNNMRMNAGNMVEW-MRXNPFEDSA-N
Cross-matching ID
PubChem CID
130907
ChEBI ID
CHEMBL53294
CAS Number
126874-82-6
TTD ID
D0D1PR
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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 Inhibitor [1]
Dopamine D2 receptor (D2R) TTEX248 DRD2_HUMAN Inhibitor [1]
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Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Dopamine D1 receptor (D1R) DTT DRD1 8.99E-01 -0.06 -0.3
Dopamine D2 receptor (D2R) DTT DRD2 2.20E-03 -0.51 -1.35
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References

1 Synthesis and dopamine receptor affinities of N-alkyl-11-hydroxy-2-methoxynoraporphines: N-alkyl substituents determine D1 versus D2 receptor selec... J Med Chem. 2008 Feb 28;51(4):983-7.