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G protein-coupled receptors (GPCRs)
Class Frizzled GPCRs
ANTA XV , CAS No.A607666, Antagonist of SMO

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ANTA XV , CAS No.A607666, Antagonist of SMO

Moligand™

PubChem CID: 24905375

Item Number

A607666

Grouped product items
SKU	Size	Availability	Price	Qty
A607666-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$922.90
A607666-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,600.90

View related series

SMO Antagonist

Basic Description

Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	ANTAGONIST
Mechanism of action	Antagonist of SMO

Associated Targets(Human)

SMO Tclin Smoothened homolog (2 Activities)

Discover Target: SMO

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

SMO Tclin Smoothened homolog (1371 Activities)

Discover Target: SMO

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

Associated Targets(non-human)

Mus musculus (284745 Activities)

Explore this target

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

Brain (1 Activities)

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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	2-[6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl]propan-2-ol
INCHI	InChI=1S/C27H29N5O/c1-27(2,33)21-12-13-25(28-19-21)31-14-16-32(17-15-31)26-23-11-7-6-10-22(23)24(29-30-26)18-20-8-4-3-5-9-20/h3-13,19,33H,14-18H2,1-2H3
InChi Key	KSWYJUIFHPSZOL-UHFFFAOYSA-N
Canonical SMILES	CC(c1ccc(nc1)N1CCN(CC1)c1nnc(c2c1cccc2)Cc1ccccc1)(O)C
Isomeric SMILES	CC(C)(C1=CN=C(C=C1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)CC5=CC=CC=C5)O
PubChem CID	24905375

Database links

PubChem CID	24905375
ChEMBL Ligand	CHEMBL485870
BindingDB Ligand	50268313
RCSB PDB Ligand	A8T
GPCRdb Ligand	ANTA XV

Certificates

Certificate of Analysis(COA)

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References

1. Miller-Moslin K, Peukert S, Jain RK, McEwan MA, Karki R, Llamas L, Yusuff N, He F, Li Y, Sun Y et al.. (2009) 1-amino-4-benzylphthalazines as orally bioavailable smoothened antagonists with antitumor activity.. J Med Chem, 52 (13): (3954-68). [PMID:19469545] [10.1021/op500134e]
2. Bao X, Peng Y, Lu X, Yang J, Zhao W, Tan W, Dong X. (2016) Synthesis and evaluation of novel benzylphthalazine derivatives as hedgehog signaling pathway inhibitors.. Bioorg Med Chem Lett, 26 (13): (3048-3051). [PMID:27180012] [10.1021/op500134e]

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