2-[2-[[4-(2,3-dihydro-1H-inden-2-ylamino)pyrido[4,5-e]pyrimidin-6-yl]amino]ethoxy]ethanol - Moligand™ , Allosteric modulator of mGlu 1 receptor, CAS No.D608954, Allosteric modulator of mGlu 1 receptor

CAS: D608954 Cat. No.: D608954 PubChem CID: 11772954

GRADE & PURITY Moligand™

Synonyms

compound 22

Storage

Room temperature

Specifications

Synonyms

compound 22

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ALLOSTERIC MODULATOR

Mechanism of action

Allosteric modulator of mGlu 1 receptor

Names and Identifiers

• Canonical Smiles: OCCOCCNc1ncc2c(c1)c(ncn2)NC1Cc2c(C1)cccc2
• IUPAC Name: 2-[2-[[4-(2,3-dihydro-1H-inden-2-ylamino)pyrido[4,5-e]pyrimidin-6-yl]amino]ethoxy]ethanol
• InChIKey: QFBGUCZGHVJUGC-UHFFFAOYSA-N
• INCHI: 1S/C20H23N5O2/c26-6-8-27-7-5-21-19-11-17-18(12-22-19)23-13-24-20(17)25-16-9-14-3-1-2-4-15(14)10-16/h1-4,11-13,16,26H,5-10H2,(H,21,22)(H,23,24,25)
• Isomeric SMILES: C1C(CC2=CC=CC=C21)NC3=NC=NC4=CN=C(C=C43)NCCOCCO
• PubChem CID: 11772954

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridopyrimidines
      • Subclass Pyrido[3,4-d]pyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridopyrimidines
• Subclass: Pyrido[3,4-d]pyrimidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrido[3,4-d]pyrimidines
• Alternative Parents: Indanes Aminopyrimidines and derivatives Aminopyridines and derivatives Imidolactams Heteroaromatic compounds Dialkyl ethers Azacyclic compounds Primary alcohols Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrido[3,4-d]pyrimidine - Indane - Aminopyridine - Aminopyrimidine - Pyridine - Imidolactam - Benzenoid - Pyrimidine - Heteroaromatic compound - Dialkyl ether - Ether - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Amine - Alcohol - Organic oxygen compound - Organooxygen compound - Primary alcohol - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrido[3,4-d]pyrimidines. These are compounds containing the pyrido[3,4-d]pyrimidine ring system, which is a pyridopyrimidine isomer with three ring nitrogen atoms at the 1-, 3-, and 7- position.
• 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)

GRM1 Tchem Metabotropic glutamate receptor 1 (2 Activities)

Discover Target: GRM1

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

GRM1 Tchem Metabotropic glutamate receptor 1 (2309 Activities)

Discover Target: GRM1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GRM5 Tchem Metabotropic glutamate receptor 5 (5733 Activities)

Discover Target: GRM5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Liver microsomes (16955 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Rattus norvegicus (775804 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action