plocabulin (CHEBI:757105)

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CHEBI:757105 - plocabulin

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ChEBI ID	CHEBI:757105
ChEBI Name	plocabulin
Stars
Last Modified	30 June 2026
Submitter	ChEMBL
Downloads	Molfile

Formula	C31H45N3O7
Net Charge	0
Average Mass	571.715
Monoisotopic Mass	571.32575
SMILES	C/C=C\C[C@@H](C/C=C\NC(=O)[C@@H](NC(=O)/C=C\C=C/C(C)=C/[C@H](C)[C@@H]1CC=C(OC)C(=O)O1)C(C)(C)C)OC(N)=O
InChI	InChI=1S/C31H45N3O7/c1-8-9-14-23(40-30(32)38)15-12-19-33-28(36)27(31(4,5)6)34-26(35)16-11-10-13-21(2)20-22(3)24-17-18-25(39-7)29(37)41-24/h8-13,16,18-20,22-24,27H,14-15,17H2,1-7H3,(H2,32,38)(H,33,36)(H,34,35)/b9-8-,13-10-,16-11-,19-12-,21-20+/t22-,23-,24-,27+/m0/s1
InChIKey	IEKGSKLKBICCHQ-BDOJOPHNSA-N

Roles Classification

Chemical Role:	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Application:	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology

Outgoing Relation(s)
	plocabulin (CHEBI:757105) has role antineoplastic agent (CHEBI:35610)
	plocabulin (CHEBI:757105) is a N-acyl-amino acid (CHEBI:51569)

INNs	Source
plocabulin	WHO MedNet
plocabulina	WHO MedNet
plocabuline	WHO MedNet

Synonyms	Source
J3.348.355D	ChEMBL
Pm 060184	ChEMBL
PM-060184	ChEMBL
PM060184	ChEMBL

Citations