clesacostat (CHEBI:757719)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:757719 - clesacostat

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:757719
ChEBI Name	clesacostat
Stars
Last Modified	30 June 2026
Submitter	ChEMBL
Downloads	Molfile

Formula	C28H30N4O5
Net Charge	0
Average Mass	502.571
Monoisotopic Mass	502.22162
SMILES	COc1cc(C(=O)N2CCC3(CC2)CC(=O)c2c(cnn2C(C)C)C3)cc(-c2ccc(C(=O)O)cc2)n1
InChI	InChI=1S/C28H30N4O5/c1-17(2)32-25-21(16-29-32)14-28(15-23(25)33)8-10-31(11-9-28)26(34)20-12-22(30-24(13-20)37-3)18-4-6-19(7-5-18)27(35)36/h4-7,12-13,16-17H,8-11,14-15H2,1-3H3,(H,35,36)
InChIKey	LXZMHBHEXAELHH-UHFFFAOYSA-N

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	clesacostat (CHEBI:757719) is a aromatic carboxylic acid (CHEBI:33859)
	clesacostat (CHEBI:757719) is a pyridinemonocarboxylic acid (CHEBI:26420)

INN	Source
clesacostat	WHO MedNet

Synonyms	Source
PF-05221304	ChEMBL
PF05221304	ChEMBL

Citations