encequidar (CHEBI:757800)

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CHEBI:757800 - encequidar

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ChEBI ID	CHEBI:757800
ChEBI Name	encequidar
Stars
Last Modified	30 June 2026
Submitter	ChEMBL
Downloads	Molfile

Formula	C38H36N6O7
Net Charge	0
Average Mass	688.741
Monoisotopic Mass	688.26455
SMILES	COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cc(OC)c(OC)cc4NC(=O)c4cc(=O)c5ccccc5o4)n3)cc1)CC2
InChI	InChI=1S/C38H36N6O7/c1-47-32-17-24-14-16-43(22-25(24)18-33(32)48-2)15-13-23-9-11-26(12-10-23)44-41-37(40-42-44)28-19-34(49-3)35(50-4)20-29(28)39-38(46)36-21-30(45)27-7-5-6-8-31(27)51-36/h5-12,17-21H,13-16,22H2,1-4H3,(H,39,46)
InChIKey	AHJUHHDDCJQACA-UHFFFAOYSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	encequidar (CHEBI:757800) has role antineoplastic agent (CHEBI:35610)
	encequidar (CHEBI:757800) is a aromatic amide (CHEBI:62733)

INN	Source
encequidar	WHO MedNet

Synonyms	Source
HM-30181	ChEMBL
HM30181	ChEMBL
HM30181AK	ChEMBL
Pgp inhibitor hm30181ak	ChEMBL

Citations