PIK-108 - Moligand™ , Allosteric modulator of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit alpha;Allosteric modulator of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit beta;Allosteric modulator of phosphatidylinositol, Allosteric modulator of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit alpha;Allosteric modulator of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit beta;Allosteric modulator of phosphatidylinositol-4;5-bisphosphate 3-ki

CAS: P612834 Cat. No.: P612834 PubChem CID: 54751698

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ALLOSTERIC MODULATOR

Mechanism of action

Allosteric modulator of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit alpha;Allosteric modulator of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit beta;Allosteric modulator of phosphatidylinositol-4;5-bisphosphate 3-ki

Names and Identifiers

• Canonical Smiles: Cc1cc([C@@H](Nc2ccccc2)C)c2c(c1)c(=O)cc(o2)N1CCOCC1
• IUPAC Name: 8-[(1S)-1-anilinoethyl]-6-methyl-2-morpholin-4-ylchromen-4-one
• InChIKey: VRCXIJAYLCUSHC-INIZCTEOSA-N
• INCHI: 1S/C22H24N2O3/c1-15-12-18(16(2)23-17-6-4-3-5-7-17)22-19(13-15)20(25)14-21(27-22)24-8-10-26-11-9-24/h3-7,12-14,16,23H,8-11H2,1-2H3/t16-/m0/s1
• Isomeric SMILES: CC1=CC2=C(C(=C1)[C@H](C)NC3=CC=CC=C3)OC(=CC2=O)N4CCOCC4
• PubChem CID: 54751698

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: Chromones
• Alternative Parents: Phenylalkylamines Dialkylarylamines Aniline and substituted anilines Secondary alkylarylamines Pyranones and derivatives Morpholines Vinylogous amides Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chromone - Dialkylarylamine - Aniline or substituted anilines - Phenylalkylamine - Pyranone - Secondary aliphatic/aromatic amine - Aralkylamine - Monocyclic benzene moiety - Morpholine - Oxazinane - Pyran - Benzenoid - Vinylogous amide - Heteroaromatic compound - Dialkyl ether - Secondary amine - Ether - Oxacycle - Azacycle - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety.
• 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)

PIK3CA Tclin Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (1 Activities)

Discover Target: PIK3CA

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

PIK3CB Tchem Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (1 Activities)

Discover Target: PIK3CB

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

PIK3CD Tclin Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (1 Activities)

Discover Target: PIK3CD

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