quemliclustat (CHEBI:757692)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:757692 - quemliclustat

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:757692
ChEBI Name	quemliclustat
Stars
Last Modified	30 June 2026
Submitter	ChEMBL
Downloads	Molfile

Formula	C20H24ClFN4O9P2
Net Charge	0
Average Mass	580.830
Monoisotopic Mass	580.06911
SMILES	C[C@H](Nc1cc(Cl)nc2c1cnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)c1ccccc1F
InChI	InChI=1S/C20H24ClFN4O9P2/c1-10(11-4-2-3-5-13(11)22)24-14-6-16(21)25-19-12(14)7-23-26(19)20-18(28)17(27)15(35-20)8-34-37(32,33)9-36(29,30)31/h2-7,10,15,17-18,20,27-28H,8-9H2,1H3,(H,24,25)(H,32,33)(H2,29,30,31)/t10-,15+,17+,18+,20+/m0/s1
InChIKey	MFYLCAMJNGIULC-KCVUFLITSA-N

Roles Classification

antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology

Outgoing Relation(s)
	quemliclustat (CHEBI:757692) has role antineoplastic agent (CHEBI:35610)
	quemliclustat (CHEBI:757692) is a pyrazolopyridine (CHEBI:46699)

INN	Source
quemliclustat	WHO MedNet

Synonyms	Source
AB-680	ChEMBL
AB680	ChEMBL

Citations