ethyl(3-phenylprop-2-yn-1-yl)[(3-{[4-(thiophen-3-yl)thiophen-2-yl]methoxy}phenyl)methyl]amine - Moligand™ , Inhibitor of lanosterol synthase, CAS No.E608859, Inhibitor of lanosterol synthase

CAS: E608859 Cat. No.: E608859 PubChem CID: 44270471

GRADE & PURITY Moligand™

Synonyms

compound 1

Storage

Room temperature

Specifications

Synonyms

compound 1

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of lanosterol synthase

Names and Identifiers

• Canonical Smiles: CCN(Cc1cccc(c1)OCc1scc(c1)c1cscc1)CC#Cc1ccccc1
• IUPAC Name: ethyl(3-phenylprop-2-yn-1-yl)[(3-{[4-(thiophen-3-yl)thiophen-2-yl]methoxy}phenyl)methyl]amine
• InChIKey: GZVZWBOHPHLQFU-UHFFFAOYSA-N
• INCHI: 1S/C27H25NOS2/c1-2-28(14-7-11-22-8-4-3-5-9-22)18-23-10-6-12-26(16-23)29-19-27-17-25(21-31-27)24-13-15-30-20-24/h3-6,8-10,12-13,15-17,20-21H,2,14,18-19H2,1H3
• Isomeric SMILES: CCN(CC#CC1=CC=CC=C1)CC2=CC(=CC=C2)OCC3=CC(=CS3)C4=CSC=C4
• PubChem CID: 44270471

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Bi- and oligothiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Bi- and oligothiophenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Bi- and oligothiophenes
• Alternative Parents: Phenylmethylamines Phenoxy compounds Phenol ethers Benzylamines Aralkylamines Alkyl aryl ethers Thiophenes Heteroaromatic compounds Trialkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bithiophene - Benzylamine - Phenol ether - Phenylmethylamine - Phenoxy compound - Aralkylamine - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Thiophene - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Ether - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as bi- and oligothiophenes. These are organic compounds containing two or more linked thiophene rings. Thiophene is a five-member aromatic ring with one sulfur and four carbon atoms.
• 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)

SQLE Tchem Squalene monooxygenase (1 Activities)

Discover Target: SQLE

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

LSS Tchem Lanosterol synthase (1 Activities)

Discover Target: LSS

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

Associated Targets(non-human)

ERG1 Squalene monooxygenase (20 Activities)

Discover Target: ERG1

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

Mechanisms of Action