(-)-N-porphynorapomorphine - Moligand™ , Agonist of D 2 receptor;Agonist of D 3 receptor, CAS No.21323-10-4, Agonist of D 2 receptor;Agonist of D 3 receptor

CAS: 21323-10-4 Cat. No.: N612380 PubChem CID: 167715

GRADE & PURITY Moligand™

Synonyms

(-)-N-porphynorapomorphine | Noraporphine-10,11-diol, 6-propyl- | (-)-NPA | PDSP1_000853 | (R)-10,11-Dihydroxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolinium | (R)-6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol | cid_11957529

Storage

Room temperature

Specifications

Synonyms

(-)-N-porphynorapomorphine | Noraporphine-10, 11-diol, 6-propyl- | (-)-NPA | PDSP1_000853 | (R)-10, 11-Dihydroxy-6-propyl-5, 6, 6a, 7-tetrahydro-4H-dibenzo[de, g]quinolinium | (R)-6-Propyl-5, 6, 6a, 7-tetrahydro-4H-dibenzo[de, g]quinoline-10, 11-diol | cid_11957529

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of D 2 receptor;Agonist of D 3 receptor

Names and Identifiers

• Canonical Smiles: CCCN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O
• IUPAC Name: (9R)-10-propyl-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,13,15-hexaene-3,4-diol
• InChIKey: BTGAJCKRXPNBFI-OAHLLOKOSA-N
• 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
• Isomeric SMILES: CCCN1CCC2=C3[C@H]1CC4=C(C3=CC=C2)C(=C(C=C4)O)O
• PubChem CID: 167715

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Class Aporphines

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Class: Aporphines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Aporphines
• Alternative Parents: Phenanthrenes and derivatives Benzoquinolines Naphthols and derivatives Tetrahydroisoquinolines Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Trialkylamines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aporphine - Benzoquinoline - Phenanthrene - 2-naphthol - 1-naphthol - Naphthalene - Quinoline - Tetrahydroisoquinoline - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Aralkylamine - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as aporphines. These are quinoline alkaloids containing the dibenzo[de,g]quinoline ring system or a dehydrogenated derivative thereof.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

DRD1 Tclin D(1A) dopamine receptor (3 Activities)

Discover Target: DRD1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

DRD2 Tclin D(2) dopamine receptor (7 Activities)

Discover Target: DRD2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TH Tclin Tyrosine 3-monooxygenase (1 Activities)

Discover Target: TH

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

DRD3 Tclin D(3) dopamine receptor (1 Activities)

Discover Target: DRD3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemical and Physical Properties

• Molecular Weight: 295.400 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 295.157 Da
• Monoisotopic Mass: 295.157 Da
• Topological Polar Surface Area: 43.700 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 401.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1