EGIS-11150 - Moligand™ , Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 7 receptor;Antagonist of α 2C-adrenoceptor;Antagonist of D 2 receptor, CAS No.494861-87-9, Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 7 receptor;Antagonist of α 2C-adrenoceptor;Antagonist of D 2 receptor

CAS: 494861-87-9 Cat. No.: E610081 PubChem CID: 9909267

GRADE & PURITY Moligand™

Synonyms

3(2H)-Pyridazinone, 4-chloro-5-((2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)ethyl)amino)-2-methyl- | s36549 | S-36549 | TD3SSC2VDF | BQNLTXZVZWVEDX-UHFFFAOYSA-N | 4-chloro-5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethylamino]-2-methylp

Storage

Room temperature

Specifications

Synonyms

3(2H)-Pyridazinone, 4-chloro-5-((2-(4-(6-fluoro-1, 2-benzisoxazol-3-yl)-1-piperidinyl)ethyl)amino)-2-methyl- | s36549 | S-36549 | TD3SSC2VDF | BQNLTXZVZWVEDX-UHFFFAOYSA-N | 4-chloro-5-[2-[4-(6-fluoro-1, 2-benzoxazol-3-yl)piperidin-1-yl]ethylamino]-2-methylp

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 7 receptor;Antagonist of α 2C-adrenoceptor;Antagonist of D 2 receptor

Names and Identifiers

• Canonical Smiles: Cn1c(=O)c(c(cn1)NCCN1CCC(CC1)c1noc2c1ccc(c2)F)Cl
• InChIKey: BQNLTXZVZWVEDX-UHFFFAOYSA-N
• INCHI: 1S/C19H21ClFN5O2/c1-25-19(27)17(20)15(11-23-25)22-6-9-26-7-4-12(5-8-26)18-14-3-2-13(21)10-16(14)28-24-18/h2-3,10-12,22H,4-9H2,1H3
• Isomeric SMILES: CN1C(=O)C(=C(C=N1)NCCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)Cl
• PubChem CID: 9909267

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzisoxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzisoxazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzisoxazoles
• Alternative Parents: Aminopyridazines Aralkylamines Secondary alkylarylamines Pyridazinones Aryl chlorides Aryl fluorides Benzenoids Piperidines Isoxazoles Heteroaromatic compounds Vinylogous amides Lactams Trialkylamines Azacyclic compounds Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Organofluorides Organooxygen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzisoxazole - Aminopyridazine - Pyridazinone - Secondary aliphatic/aromatic amine - Aralkylamine - Aryl chloride - Aryl fluoride - Aryl halide - Piperidine - Pyridazine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Azole - Isoxazole - Tertiary amine - Tertiary aliphatic amine - Lactam - Secondary amine - Oxacycle - Azacycle - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organofluoride - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzisoxazoles. These are aromatic compounds containing a benzene ring fused to an isoxazole ring. Isoxazole is five-membered ring with three carbon atoms, and an oxygen atom next to a nitrogen atom.
• 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)

DRD2 Tclin D(2) dopamine receptor (0 Activities)

Discover Target: DRD2

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

ADRA2C Tclin Alpha-2C adrenergic receptor (0 Activities)

Discover Target: ADRA2C

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

HTR2A Tclin 5-hydroxytryptamine receptor 2A (0 Activities)

Discover Target: HTR2A

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

HTR7 Tclin 5-hydroxytryptamine receptor 7 (0 Activities)

Discover Target: HTR7

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