pinometostat (CHEBI:230493)

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CHEBI:230493 - pinometostat

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ChEBI ID	CHEBI:230493
ChEBI Name	pinometostat
Stars
Definition	Pinometostat (EPZ-5676) is a potent DOT1L histone methyltransferase inhibitor.
Last Modified	23 May 2024
Submitter	delphine
Downloads	Molfile

Formula	C30H42N8O3
Net Charge	0
Average Mass	562.719
Monoisotopic Mass	562.33799
SMILES	CC(C)N(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@H]1C[C@@H](CCc2nc3ccc(C(C)(C)C)cc3n2)C1
InChI	InChI=1S/C30H42N8O3/c1-16(2)37(13-22-25(39)26(40)29(41-22)38-15-34-24-27(31)32-14-33-28(24)38)19-10-17(11-19)6-9-23-35-20-8-7-18(30(3,4)5)12-21(20)36-23/h7-8,12,14-17,19,22,25-26,29,39-40H,6,9-11,13H2,1-5H3,(H,35,36)(H2,31,32,33)/t17-,19+,22-,25-,26-,29-/m1/s1
InChIKey	LXFOLMYKSYSZQS-LURJZOHASA-N

ChEBI Ontology

Outgoing Relation(s)
	pinometostat (CHEBI:230493) is a organic molecular entity (CHEBI:50860)

IUPAC Name
5'-[{(1r,3S)-3-[2-(5-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl}(propan-2-yl)amino]-5'-deoxyadenosine

INNs	Source
pinometostat	WHO MedNet
pinometostat	WHO MedNet
pinométostat	WHO MedNet
pinometostatum	WHO MedNet

Synonyms	Source
EPZ-005676	DrugBank
EPZ 5676	DrugBank
EPZ-5676	DrugBank
EPZ5676	DrugBank

Manual Xrefs	Databases
DB12920	DrugBank
HMDB0256563	HMDB

Registry Numbers	Sources
CAS:1380288-87-8	SUBMITTER