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Details

Stereochemistry ACHIRAL
Molecular Formula C23H23N7O3
Molecular Weight 445.4738
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TAK-593

SMILES

CN1N=C(C)C=C1C(=O)NC2=CC(OC3=NN4C=C(NC(=O)C5CC5)N=C4C=C3)=CC=C2C

InChI

InChIKey=DZFZXPPHBWCXPQ-UHFFFAOYSA-N
InChI=1S/C23H23N7O3/c1-13-4-7-16(11-17(13)24-23(32)18-10-14(2)27-29(18)3)33-21-9-8-20-25-19(12-30(20)28-21)26-22(31)15-5-6-15/h4,7-12,15H,5-6H2,1-3H3,(H,24,32)(H,26,31)

HIDE SMILES / InChI

Molecular Formula C23H23N7O3
Molecular Weight 445.4738
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-593 is an oral formulation containing a small-molecule receptor tyrosine kinase inhibitor of both vascular endothelial growth factor receptor 2 (VEGFR2) and platelet-derived growth factor receptor (PDGFR) with potential antineoplastic activity. TAK-593 selectively binds to and inhibits VEGFR and PDGFR, which may result in the inhibition of angiogenesis and tumor cell proliferation. It was in the phase I of clinical trial in subjects with nonhematologic advanced cancer and it was discontinued.

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
0.95 nM [IC50]

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Cmax

ValueDoseCo-administeredAnalytePopulation
0.056 μg/mL
0.5 mg/kg single, oral
TAK-593 plasma
Rattus norvegicus

AUC

ValueDoseCo-administeredAnalytePopulation
0.226 μg × h/mL
0.5 mg/kg single, oral
TAK-593 plasma
Rattus norvegicus
0.571 μg × h/mL
0.25 mg/kg single, intravenous
TAK-593 plasma
Rattus norvegicus

PubMed

Sample Use Guides

In Vivo Use Guide
Tablets of TAK-593 in 2 strengths: 1 mg and 4 mg tablets. Administration will initially be 4 mg, once a day and transition to 2 mg BID schedule dependant on safety.
Route of Administration: Oral
In Vitro Use Guide
Unknown
Substance Class Chemical
Record UNII
H3I42X8XX7
Record Status Validated (UNII)
Record Version