zidesamtinib - Moligand™ , Inhibitor of c-ros oncogene 1; receptor tyrosine kinase;Inhibitor of neurotrophic receptor tyrosine kinase 1, CAS No.Z614962, Inhibitor of c-ros oncogene 1; receptor tyrosine kinase;Inhibitor of neurotrophic receptor tyrosine kinase 1

CAS: Z614962 Cat. No.: Z614962 PubChem CID: 166560233

GRADE & PURITY Moligand™

Synonyms

Example 5 [US383715659] | SCHEMBL24007115 | EX-A8016 | NVL520 | NVL-520 | 2739829-00-4 | MX5KQV5XHC | Zidesamtinib | zidesamtinib [INN] | GTPL12392

Storage

Room temperature

Specifications

Synonyms

Example 5 [US383715659] | SCHEMBL24007115 | EX-A8016 | NVL520 | NVL-520 | 2739829-00-4 | MX5KQV5XHC | Zidesamtinib | zidesamtinib [INN] | GTPL12392

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of c-ros oncogene 1; receptor tyrosine kinase;Inhibitor of neurotrophic receptor tyrosine kinase 1

Names and Identifiers

• Canonical Smiles: CCN1N=CC2=C1C3=CC(O[C@H](C)C4=CC(F)=CC=C4C5=NN(C)N=C5C2)=C(N)N=C3
• InChIKey: DTWUUAFTYSMNQX-GFCCVEGCSA-N
• INCHI: 1S/C22H22FN7O/c1-4-30-21-13(11-26-30)7-18-20(28-29(3)27-18)16-6-5-15(23)9-17(16)12(2)31-19-8-14(21)10-25-22(19)24/h5-6,8-12H,4,7H2,1-3H3,(H2,24,25)/t12-/m1/s1
• Isomeric SMILES: CCN1C2=C(CC3=NN(N=C3C4=C(C=C(C=C4)F)[C@H](OC5=C(N=CC2=C5)N)C)C)C=N1
• PubChem CID: 166560233

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: O-alkylpyrimidines
• Alternative Parents: Polyhalopyridines Methylpyridines Alkyl aryl ethers 2-halopyridines Imidolactams Benzenoids Triazoles Heteroaromatic compounds Vinyl fluorides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Hydrazones Fluoroalkenes Azacyclic compounds Aldimines Organopnictogen compounds Organofluorides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: O-alkylpyrimidine - Polyhalopyridine - 2-halopyridine - Methylpyridine - Alkyl aryl ether - Imidolactam - Benzenoid - Pyridine - Heteroaromatic compound - 1,2,3-triazole - Azole - Oxacycle - Azacycle - Fluoroalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl fluoride - Hydrazone - Ether - Aldimine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Imine - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as o-alkylpyrimidines. These are compounds containing a pyrimidine , which is O-alkylated at one or more ring positions.
• 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)

ROS1 Tclin Proto-oncogene tyrosine-protein kinase ROS (0 Activities)

Discover Target: ROS1

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

NTRK1 Tclin High affinity nerve growth factor receptor (0 Activities)

Discover Target: NTRK1

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