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Details

Stereochemistry ACHIRAL
Molecular Formula C24H21N3OS
Molecular Weight 399.508
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TAK-715

SMILES

CCC1=NC(=C(S1)C2=CC(NC(=O)C3=CC=CC=C3)=NC=C2)C4=CC=CC(C)=C4

InChI

InChIKey=HEKAIDKUDLCBRU-UHFFFAOYSA-N
InChI=1S/C24H21N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26,28)

HIDE SMILES / InChI

Molecular Formula C24H21N3OS
Molecular Weight 399.508
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

TAK 715 is an orally bioavailable drug, which was developed by Takeda as Anti-inflammatory and anti-rheumatoid arthritis agent. This drug was in phase II of clinical trials, but that study was discontinued. TAK 715 is an inhibitor of p38 MAPK alpha and is inhibitor of Wnt-3a-stimulated β-catenin signaling.

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
7.1 nM [IC50]

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown
Primary
Unknown

Overview

OverviewOther

Drug as perpetrator​

PubMed

Patents

Sample Use Guides

In Vivo Use Guide
TAK-715 25 mg, 50 mg and 100 mg tablets, orally, twice daily and methotrexate stable dose for up to 6 weeks.
Route of Administration: Oral
In Vitro Use Guide
It was synthesized a novel compound and evaluated it inhibition of p38 MAP kinase, lipopolysaccharide (LPS)-stimulated release of tumor necrosis factor-alpha (TNF-alpha) from human monocytic THP-1 cells in vitro. It was discovered, that TAK-715 exhibited potent inhibitory activity in these assays (inhibition of p38alpha, IC50 = 7.1 nM; LPS-stimulated release of TNF-alpha from THP-1, IC50 = 48 nM) and no inhibitory activity for major CYPs, including CYP3A4.
Substance Class Chemical
Record UNII
WE92U03C5Z
Record Status Validated (UNII)
Record Version