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Details

Stereochemistry ACHIRAL
Molecular Formula C18H14N6O2
Molecular Weight 346.3428
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TG-100115

SMILES

NC1=NC(N)=C2N=C(C3=CC=CC(O)=C3)C(=NC2=N1)C4=CC(O)=CC=C4

InChI

InChIKey=UJIAQDJKSXQLIT-UHFFFAOYSA-N
InChI=1S/C18H14N6O2/c19-16-15-17(24-18(20)23-16)22-14(10-4-2-6-12(26)8-10)13(21-15)9-3-1-5-11(25)7-9/h1-8,25-26H,(H4,19,20,22,23,24)

HIDE SMILES / InChI

Molecular Formula C18H14N6O2
Molecular Weight 346.3428
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

TG-100115 is a potent dual inhibitor of PI3K-gamma and PI3K-delta. TG-100115 has broad anti-inflammatory activities. TG-100115 provided potent cardioprotection, reducing infarct development and preserving myocardial function. In murine models of asthma and acute stages of chronic obstructive pulmonary disease, aerosolized TG100-115 demonstrated not only markedly inhibited anti-inflammatory activity but also, in the case of the asthma model, improved functional outcome for the test animals. TG-100115 can be used as a potent TRPM7 kinase inhibitor and a potent inhibitor of breast cancer cell migration.

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
235.0 nM [IC50]
83.0 nM [IC50]
1.07 µM [IC50]

Conditions

ConditionModalityTargetsHighest PhaseProduct
Preventing
Unknown
Primary
Unknown
Primary
Unknown
Primary
Unknown

Overview

CYP3A4CYP2C9CYP2D6hERG

OverviewOther

Other InhibitorOther SubstrateOther Inducer

Drug as perpetrator​

PubMed

Sample Use Guides

In Vivo Use Guide
Rat: 0.5 mg/kg
Route of Administration: Intravenous
In Vitro Use Guide
TG-100115 had no effects on endothelial cells proliferation even at relatively high concentrations (up to 10 uM). TG-100115 (10 uM) interrupts other VEGF signaling pathways, such as those that culminate in VE-cadherin phosphorylation.
Substance Class Chemical
Record UNII
7ACH1U1E2M
Record Status Validated (UNII)
Record Version