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]
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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
CAS Number: 126874-82-6
TTD ID: D0D1PR

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 Interaction Atlas (MIA)

MIA Detail

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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

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

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.