(3-chlorophenyl) 6-(bromomethyl)-2-oxochromene-3-carboxylate - Moligand™ , Inhibitor of kallikrein related peptidase 14;Inhibitor of kallikrein related peptidase 5;Inhibitor of kallikrein related peptidase 7;Inhibitor of ST14 transmembrane serine protease, Inhibitor of kallikrein related peptidase 14;Inhibitor of kallikrein related peptidase 5;Inhibitor of kallikrein related peptidase 7;Inhibitor of ST14 transmembrane serine protease matriptase

CAS: C609256 Cat. No.: C609256 PubChem CID: 90170031

GRADE & PURITY Moligand™

Synonyms

compound 4d

Storage

Room temperature

Specifications

Synonyms

compound 4d

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of kallikrein related peptidase 14;Inhibitor of kallikrein related peptidase 5;Inhibitor of kallikrein related peptidase 7;Inhibitor of ST14 transmembrane serine protease matriptase

Names and Identifiers

• Canonical Smiles: BrCc1ccc2c(c1)cc(c(=O)o2)C(=O)Oc1cccc(c1)Cl
• IUPAC Name: (3-chlorophenyl) 6-(bromomethyl)-2-oxochromene-3-carboxylate
• InChIKey: RNWNTBMGGUARMR-UHFFFAOYSA-N
• INCHI: 1S/C17H10BrClO4/c18-9-10-4-5-15-11(6-10)7-14(17(21)23-15)16(20)22-13-3-1-2-12(19)8-13/h1-8H,9H2
• Isomeric SMILES: C1=CC(=CC(=C1)Cl)OC(=O)C2=CC3=C(C=CC(=C3)CBr)OC2=O
• PubChem CID: 90170031

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Coumarins and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Coumarins and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumarins and derivatives
• Alternative Parents: Phenol esters 1-benzopyrans Phenoxy compounds Pyranones and derivatives Chlorobenzenes Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Lactones Oxacyclic compounds Organic oxides Organobromides Organochlorides Organooxygen compounds Alkyl bromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumarin - Benzopyran - 1-benzopyran - Phenol ester - Phenoxy compound - Pyranone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Carboxylic acid ester - Lactone - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Alkyl halide - Alkyl bromide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
• 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)

ST14 Tchem Suppressor of tumorigenicity 14 protein (1 Activities)

Discover Target: ST14

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

KLK7 Tchem Kallikrein-7 (1 Activities)

Discover Target: KLK7

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

KLK5 Tchem Kallikrein-5 (1 Activities)

Discover Target: KLK5

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

KLK14 Tchem Kallikrein-14 (1 Activities)

Discover Target: KLK14

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