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Details

Stereochemistry ACHIRAL
Molecular Formula C22H19N5O.H2O
Molecular Weight 387.4344
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GALUNISERTIB MONOHYDRATE

SMILES

O.CC1=CC=CC(=N1)C2=NN3CCCC3=C2C4=C5C=C(C=CC5=NC=C4)C(N)=O

InChI

InChIKey=UZOSBNQFZUJWFP-UHFFFAOYSA-N
InChI=1S/C22H19N5O.H2O/c1-13-4-2-5-18(25-13)21-20(19-6-3-11-27(19)26-21)15-9-10-24-17-8-7-14(22(23)28)12-16(15)17;/h2,4-5,7-10,12H,3,6,11H2,1H3,(H2,23,28);1H2

HIDE SMILES / InChI

Description

Galunisertib is a potent inhibitor of TGF beta type 1 receptor. The drug is under clinical development for the treatment of different cancers: pancreatic, hepatocellular, breast, rectal, prostate etc. and reached phase 2/3 in patients with myelodysplastic syndromes.

Originator

Eli Lilly
239

Approval Year

Unknown
149,124

Targets

Primary TargetPharmacologyConditionPotency
TGF-beta receptor type I
6
Inhibitor
8,504
 56.0 nM [IC50]

Conditions

ConditionModalityTargetsHighest PhaseProduct
Myelodysplastic syndromes
61
 Primary
Phase III
665
Unknown
Prostate cancer
186
 Primary
Phase II
1,147
Unknown
Rectal adenocarcinoma
2
 Primary
Phase II
1,147
Unknown
Hepatocellular carcinoma
83
 Primary
Phase II
1,147
Unknown
Breast cancer
432
 Primary
Phase II
1,147
Unknown
Pancreatic ductal adenocarcinoma
14
 Primary
Phase II
1,147
Unknown
Glioblastoma
66
 Primary
Phase II
1,147
Unknown

Cmax

ValueDoseCo-administeredAnalytePopulation
800 ng/mL
150 mg 2 times / day steady-state, oral
 GALUNISERTIB plasma
Homo sapiens
990 ng/mL
150 mg 2 times / day steady-state, oral
 GALUNISERTIB plasma
Homo sapiens

AUC

ValueDoseCo-administeredAnalytePopulation
2930 ng × h/mL
150 mg 2 times / day steady-state, oral
 GALUNISERTIB plasma
Homo sapiens
3730 ng × h/mL
150 mg 2 times / day steady-state, oral
 GALUNISERTIB plasma
Homo sapiens

T1/2

ValueDoseCo-administeredAnalytePopulation
8 h
150 mg 2 times / day steady-state, oral
 GALUNISERTIB plasma
Homo sapiens
8 h
150 mg 2 times / day steady-state, oral
 GALUNISERTIB plasma
Homo sapiens

Funbound

ValueDoseCo-administeredAnalytePopulation
36%
GALUNISERTIB plasma
Homo sapiens

PubMed

Patents

20060040983
2

Sample Use Guides

In Vivo Use Guide
Patients receive 150 milligrams of galunisertib, given orally twice daily for 14 days followed by 14 days with no study drug (28 day cycles).
Route of Administration: Oral
In Vitro Use Guide
JHH6, SK-HEP1, SK-Sora, HepG2, Hep3B, and HuH7 cells were simultaneously exposed to 0.1, 1, 10, and 100 uM galunisertib with 5 uM sorafenib in presence of TGF-beta for 72 hours.
ACTIVE MOIETY
Structure of GALUNISERTIB
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