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WM382 , CAS No.W614851

Moligand™

PubChem CID: 154699453

Item Number

W614851

Grouped product items
SKU	Size	Availability	Price	Qty
W614851-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,334.90
W614851-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,790.90

View related series

Plasmodium falciparum plasmepsin X

Basic Description

Specifications & Purity	Moligand™
Grade	Moligand™

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PMX Plasmepsin X (23 Activities)

Discover Target: PMX

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide
INCHI	InChI=1S/C29H36N4O4/c1-5-29(6-2)17-25(34)33(27(30)32-29)22-13-14-36-23-12-11-18(15-20(22)23)26(35)31-21-16-28(3,4)37-24-10-8-7-9-19(21)24/h7-12,15,21-22H,5-6,13-14,16-17H2,1-4H3,(H2,30,32)(H,31,35)/t21-,22+/m0/s1
InChi Key	ZSZSSSHEMYULPX-FCHUYYIVSA-N
Canonical SMILES	CCC1(CC)NC(=N)N(C(=O)C1)[C@@H]1CCOc2c1cc(cc2)C(=O)N[C@H]1CC(C)(C)Oc2c1cccc2
Isomeric SMILES	CCC1(CC(=O)N(C(=N1)N)[C@@H]2CCOC3=C2C=C(C=C3)C(=O)N[C@H]4CC(OC5=CC=CC=C45)(C)C)CC
PubChem CID	154699453

Database links

PubChem CID	154699453
RCSB PDB Ligand	I0L

Certificates

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References

1. Favuzza P, de Lera Ruiz M, Thompson JK, Triglia T, Ngo A, Steel RWJ, Vavrek M, Christensen J, Healer J, Boyce C et al.. (2020) Dual Plasmepsin-Targeting Antimalarial Agents Disrupt Multiple Stages of the Malaria Parasite Life Cycle.. Cell Host Microbe, 27 (4): (642-658.e12). [PMID:32109369] [10.1021/op500134e]

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