HG-10-102-01 (CHEBI:132509)

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ChEBI Name	HG-10-102-01

ChEBI ID	CHEBI:132509

Definition	A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 4-{[5-chloro-4-(methylamino)pyrimidin-2-yl]amino}-3-methoxybenzoic acid with the amino group of morpholine. It is an inhibitor of leucine-rich repeat kinase 2 (LRRK2).

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Margaret Duesbury

Supplier Information

Download	Molfile XML SDF

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Formula

C17H20ClN5O3

Net Charge

Average Mass

377.826

Monoisotopic Mass

377.12547

InChI

InChI=1S/C17H20ClN5O3/c1-19-15-12(18)10-20-17(22-15)21-13-4-3-11(9-14(13)25-2)16(24)23-5-7-26-8-6-23/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22)

InChIKey

YEVOZZZLKJKCCD-UHFFFAOYSA-N

SMILES

C(=O)(C1=CC=C(C(=C1)OC)NC2=NC=C(C(=N2)NC)Cl)N3CCOCC3

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of non-specific serine/threonine protein kinase (EC 2.7.11.1), a kinase enzyme involved in phosphorylation of hydroxy group of serine or threonine.

ChEBI Ontology
Outgoing	HG-10-102-01 (CHEBI:132509) has role EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor (CHEBI:50925) HG-10-102-01 (CHEBI:132509) is a aminopyrimidine (CHEBI:38338) HG-10-102-01 (CHEBI:132509) is a aromatic ether (CHEBI:35618) HG-10-102-01 (CHEBI:132509) is a monocarboxylic acid amide (CHEBI:29347) HG-10-102-01 (CHEBI:132509) is a morpholines (CHEBI:38785) HG-10-102-01 (CHEBI:132509) is a organochlorine compound (CHEBI:36683) HG-10-102-01 (CHEBI:132509) is a secondary amino compound (CHEBI:50995)

IUPAC Name

(4-{[5-chloro-4-(methylamino)pyrimidin-2-yl]amino}-3-methoxyphenyl)(morpholin-4-yl)methanone

Last Modified

12 July 2016