2-[2-(2,6-dichlorophenyl)ethyl]-4-[(6-fluoro-1H-indol-2-yl)methyl]-5H-1,3-thiazole-4-carboxylic acid - Moligand™ , Inhibitor of peptidylprolyl cis/trans isomerase; NIMA-interacting 1, CAS No.D608922, Inhibitor of peptidylprolyl cis/trans isomerase; NIMA-interacting 1

CAS: D608922 Cat. No.: D608922 PubChem CID: 11510716

GRADE & PURITY Moligand™

Synonyms

compound 20

Storage

Room temperature

Specifications

Synonyms

compound 20

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of peptidylprolyl cis/trans isomerase; NIMA-interacting 1

Names and Identifiers

• Canonical Smiles: Fc1ccc2c(c1)[nH]c(c2)CC1(CSC(=N1)CCc1c(Cl)cccc1Cl)C(=O)O
• IUPAC Name: 2-[2-(2,6-dichlorophenyl)ethyl]-4-[(6-fluoro-1H-indol-2-yl)methyl]-5H-1,3-thiazole-4-carboxylic acid
• InChIKey: FHXPZYVYXRJXQI-UHFFFAOYSA-N
• INCHI: 1S/C21H17Cl2FN2O2S/c22-16-2-1-3-17(23)15(16)6-7-19-26-21(11-29-19,20(27)28)10-14-8-12-4-5-13(24)9-18(12)25-14/h1-5,8-9,25H,6-7,10-11H2,(H,27,28)
• Isomeric SMILES: C1C(N=C(S1)CCC2=C(C=CC=C2Cl)Cl)(CC3=CC4=C(N3)C=C(C=C4)F)C(=O)O
• PubChem CID: 11510716

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Indoles Dichlorobenzenes Substituted pyrroles Aryl chlorides Aryl fluorides Thiazolines Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organofluorides Organonitrogen compounds Organochlorides Hydrocarbon derivatives Organic oxides Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid or derivatives - Indole - Indole or derivatives - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Meta-thiazoline - Pyrrole - Azacycle - Carboxylic acid - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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)

PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (1 Activities)

Discover Target: PIN1

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

PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

Discover Target: PIN1

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

Mechanisms of Action