2-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-indazol-6-yl}phenol - Moligand™ , Inhibitor of cyclin dependent kinase 2;Inhibitor of protein kinase C zeta, CAS No.M609187, Inhibitor of cyclin dependent kinase 2;Inhibitor of protein kinase C zeta

CAS: M609187 Cat. No.: M609187 PubChem CID: 135928471

GRADE & PURITY Moligand™

Synonyms

compound 3

Storage

Room temperature

Specifications

Synonyms

compound 3

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of cyclin dependent kinase 2;Inhibitor of protein kinase C zeta

Names and Identifiers

• Canonical Smiles: COc1cc(ccc1O)c1ccc2c(c1)[nH]nc2c1nc2c([nH]1)cccc2N1CCN(CC1)C
• IUPAC Name: 2-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-indazol-6-yl}phenol
• InChIKey: KKMLIJHOUUKCSW-UHFFFAOYSA-N
• INCHI: 1S/C26H26N6O2/c1-31-10-12-32(13-11-31)21-5-3-4-19-25(21)28-26(27-19)24-18-8-6-16(14-20(18)29-30-24)17-7-9-22(33)23(15-17)34-2/h3-9,14-15,33H,10-13H2,1-2H3,(H,27,28)(H,29,30)
• Isomeric SMILES: CN1CCN(CC1)C2=CC=CC3=C2N=C(N3)C4=NNC5=C4C=CC(=C5)C6=CC(=C(C=C6)O)OC
• PubChem CID: 135928471

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylpiperazines
• Alternative Parents: Methoxyphenols Benzimidazoles Indazoles Anisoles Phenoxy compounds Dialkylarylamines Methoxybenzenes 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers N-methylpiperazines Pyrazoles Heteroaromatic compounds Imidazoles Trialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylpiperazine - Methoxyphenol - Indazole - Benzopyrazole - Benzimidazole - Phenol ether - Tertiary aliphatic/aromatic amine - Phenoxy compound - Dialkylarylamine - Methoxybenzene - Anisole - N-alkylpiperazine - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - N-methylpiperazine - Benzenoid - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Imidazole - Pyrazole - Tertiary aliphatic amine - Tertiary amine - Ether - Azacycle - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
• 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)

CDK2 Tchem Cyclin-dependent kinase 2 (2 Activities)

Discover Target: CDK2

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

PRKCZ Tchem Protein kinase C zeta type (2 Activities)

Discover Target: PRKCZ

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

PRKCZ Tchem Protein kinase C zeta (2414 Activities)

Discover Target: PRKCZ

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

CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

Discover Target: CDK2

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

Mechanisms of Action