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Details

Stereochemistry ACHIRAL
Molecular Formula C24H25N5O3S
Molecular Weight 463.552
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BERZOSERTIB

SMILES

CNCC1=CC=C(C=C1)C2=NOC(=C2)C3=C(N)N=CC(=N3)C4=CC=C(C=C4)S(=O)(=O)C(C)C

InChI

InChIKey=JZCWLJDSIRUGIN-UHFFFAOYSA-N
InChI=1S/C24H25N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27)

HIDE SMILES / InChI

Description

VX-970 (VE-822) is an ATR kinase inhibitor. VE-822 decreased maintenance of cell-cycle checkpoints, increased persistent DNA damage and decreased homologous recombination in irradiated cancer cells. Vertex Pharmaceuticals is developing VX 970 for the treatment of advanced solid tumours. Phase I/II development is underway in the US for small-cell lung cancer and in the UK for solid tumours. Phase II development of VX 970 as a combination therapy in urogenital cancer, ovarian, primary peritoneal and fallopian tube cancer indications is underway in the US.

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
0.2 nM [Ki]

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown
Primary
Unknown
Primary
Unknown
Primary
Unknown
Primary
Unknown

Cmax

ValueDoseCo-administeredAnalytePopulation
4410 ng/mL
480 mg/m² single, intravenous
VX-970 plasma
Homo sapiens
1520 ng/mL
240 mg/m² 1 times / week single, intravenous
VX-970 plasma
Homo sapiens

AUC

ValueDoseCo-administeredAnalytePopulation
14900 ng × h/mL
480 mg/m² single, intravenous
VX-970 plasma
Homo sapiens
8270 ng × h/mL
240 mg/m² 1 times / week single, intravenous
VX-970 plasma
Homo sapiens

T1/2

ValueDoseCo-administeredAnalytePopulation
21.2 h
480 mg/m² single, intravenous
VX-970 plasma
Homo sapiens
17.9 h
240 mg/m² 1 times / week single, intravenous
VX-970 plasma
Homo sapiens

Doses

OverviewOther

Other InhibitorOther SubstrateOther Inducer


Drug as perpetrator​

Drug as victim

Tox targets

PubMed

Sample Use Guides

In Vivo Use Guide
Intravenous VX-970 (VE-822) is in clinical trials for the treatment of cancer, however dosage is not known. VX-970 (VE-822) (30-60 mg/kg) was administered by oral gavage in mouse cancer xenograft models.
Route of Administration: Other
In Vitro Use Guide
80 nM VX-970 (VE-822) attenuates ATR signaling in normal cells without enhancing radiation and gemcitabine killing in normal cells.