[2-chloro-4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-(2,2-dimethylpiperazin-1-yl)methanone - Moligand™ , Inhibitor of LCK proto-oncogene; Src family tyrosine kinase;Inhibitor of protein tyrosine kinase 6, CAS No.C608821, Inhibitor of LCK proto-oncogene; Src family tyrosine kinase;Inhibitor of protein tyrosine kinase 6

CAS: C608821 Cat. No.: C608821 PubChem CID: 56675928

GRADE & PURITY Moligand™

Synonyms

compound 19a

Storage

Room temperature

Specifications

Synonyms

compound 19a

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of LCK proto-oncogene; Src family tyrosine kinase;Inhibitor of protein tyrosine kinase 6

Names and Identifiers

• Canonical Smiles: Clc1cc(ccc1C(=O)N1CCNCC1(C)C)Nc1nc(cn2c1ncc2c1c[nH]nc1)C1CC1
• IUPAC Name: [2-chloro-4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-(2,2-dimethylpiperazin-1-yl)methanone
• InChIKey: MEQKJTZVPMNRIL-UHFFFAOYSA-N
• INCHI: 1S/C25H27ClN8O/c1-25(2)14-27-7-8-34(25)24(35)18-6-5-17(9-19(18)26)31-22-23-28-12-21(16-10-29-30-11-16)33(23)13-20(32-22)15-3-4-15/h5-6,9-13,15,27H,3-4,7-8,14H2,1-2H3,(H,29,30)(H,31,32)
• Isomeric SMILES: CC1(CNCCN1C(=O)C2=C(C=C(C=C2)NC3=NC(=CN4C3=NC=C4C5=CNN=C5)C6CC6)Cl)C
• PubChem CID: 56675928

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Halobenzoic acids and derivatives
          • Level6 2-halobenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: 2-halobenzoic acids and derivatives
• Alternative Parents: Benzamides Imidazopyrazines Aniline and substituted anilines Benzoyl derivatives Aminopyrazines Chlorobenzenes Piperazines N-substituted imidazoles Imidolactams Aryl chlorides Pyrazoles Vinylogous halides Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Amino acids and derivatives Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-halobenzoic acid or derivatives - Imidazopyrazine - Benzamide - Benzoyl - Aniline or substituted anilines - Halobenzene - Chlorobenzene - Aminopyrazine - Imidolactam - N-substituted imidazole - Aryl chloride - Aryl halide - 1,4-diazinane - Pyrazine - Piperazine - Vinylogous halide - Tertiary carboxylic acid amide - Pyrazole - Azole - Heteroaromatic compound - Imidazole - Amino acid or derivatives - Carboxamide group - Tertiary amine - Secondary amine - Secondary aliphatic amine - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
• 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)

PTK6 Tchem Protein-tyrosine kinase 6 (3 Activities)

Discover Target: PTK6

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

LCK Tclin Tyrosine-protein kinase Lck (1 Activities)

Discover Target: LCK

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

LCK Tclin Tyrosine-protein kinase LCK (9212 Activities)

Discover Target: LCK

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

AURKB Tchem Serine/threonine-protein kinase Aurora-B (6805 Activities)

Discover Target: AURKB

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

Mechanisms of Action