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TAK-041 , CAS No.T614307, Agonist of GPR139

Moligand™

PubChem CID: 121349608

Item Number

T614307

Grouped product items
SKU	Size	Availability	Price	Qty
T614307-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$290.90
T614307-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$870.90

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GPR139 Agonist

Synonyms

compound 56;NBI-1065846;NBI1065846;TAK041

Specifications & Purity

Moligand™

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of GPR139

Associated Targets

ABCB1 Tchem Multidrug resistance protein 1 0 Activities

Discover Target: ABCB1

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

ABCG2 Tchem ATP-binding cassette sub-family G member 2 0 Activities

Discover Target: ABCG2

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

GPR139 Tchem Probable G-protein coupled receptor 139 3 Activities

Discover Target: GPR139

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

Names and Identifiers

IUPAC Name	2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
INCHI	InChI=1S/C18H15F3N4O3/c1-11(12-6-8-13(9-7-12)28-18(19,20)21)22-16(26)10-25-17(27)14-4-2-3-5-15(14)23-24-25/h2-9,11H,10H2,1H3,(H,22,26)/t11-/m0/s1
InChi Key	JZGLECLGVQRPPI-NSHDSACASA-N
Canonical SMILES	O=c1c2c(nnn1CC(=O)N[C@@H](C)c1ccc(cc1)OC(F)(F)F)cccc2
Isomeric SMILES	C[C@@H](C1=CC=C(C=C1)OC(F)(F)F)NC(=O)CN2C(=O)C3=CC=CC=C3N=N2
PubChem CID	121349608

PubChem CID

121349608

BindingDB Ligand

263368

GPCRdb Ligand

TAK-041

References

1. Reichard HA, Schiffer HH, Monenschein H, Atienza JM, Corbett G, Skaggs AW, Collia DR, Ray WJ, Serrats J, Bliesath J et al.. (2021) Discovery of TAK-041: a Potent and Selective GPR139 Agonist Explored for the Treatment of Negative Symptoms Associated with Schizophrenia.. J Med Chem, 64 (15): (11527-11542). [PMID:34260228]

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TAK-041 , CAS No.T614307, Agonist of GPR139

Basic Description

Associated Targets

ABCB1 Tchem Multidrug resistance protein 1 0 Activities

ABCG2 Tchem ATP-binding cassette sub-family G member 2 0 Activities

GPR139 Tchem Probable G-protein coupled receptor 139 3 Activities

Names and Identifiers

Database links

Certificates

Certificate of Analysis(COA)

Related Documents

References

Solution Calculators

Molarity Calculator

Dilution Calculator

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