Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C30H34N8 |
Molecular Weight | 506.6457 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
c1ccc-2c(c1)CCCc3cc(nnc32)-n4c(=N)nc(Nc5ccc6CC[C@@]([H])(CCc6c5)N7CCCC7)[nH]4
InChI
InChIKey=KXMZDGSRSGHMMK-VWLOTQADSA-N
InChI=1S/C30H34N8/c31-29-33-30(32-24-13-10-20-11-14-25(15-12-22(20)18-24)37-16-3-4-17-37)36-38(29)27-19-23-8-5-7-21-6-1-2-9-26(21)28(23)35-34-27/h1-2,6,9-10,13,18-19,25H,3-5,7-8,11-12,14-17H2,(H3,31,32,33,36)/t25-/m0/s1
Molecular Formula | C30H34N8 |
Molecular Weight | 506.6457 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/20145120Curator's Comment:: description was created based on several sources, including
https://clinicaltrials.gov/ct2/show/NCT02424617 | https://clinicaltrials.gov/ct2/show/NCT02872259 |
http://www.rigel.com/index.php/about-rigel/current-partners/bergenbio/
Sources: https://www.ncbi.nlm.nih.gov/pubmed/20145120
Curator's Comment:: description was created based on several sources, including
https://clinicaltrials.gov/ct2/show/NCT02424617 | https://clinicaltrials.gov/ct2/show/NCT02872259 |
http://www.rigel.com/index.php/about-rigel/current-partners/bergenbio/
R428 (BGB324) is an inhibitor of Axl with IC50 of 14 nM. R428 was originated in Rigel Pharmaceuticals and was licensed to BerGenBio, which initiated clinical trials for the treatment of non-small cell lung cancer, metastatic melanoma and acute myeloid leukaemia.
Originator
Sources: https://www.ncbi.nlm.nih.gov/pubmed/21135257
Curator's Comment:: R428 was licensed to BerGenBio, where it is being developed under name of BGB324 http://www.rigel.com/index.php/about-rigel/current-partners/bergenbio/
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL4895 Sources: https://www.ncbi.nlm.nih.gov/pubmed/20145120 |
14.0 nM [IC50] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Primary | Unknown Approved UseUnknown |
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Primary | Unknown Approved UseUnknown |
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Primary | Unknown Approved UseUnknown |
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Primary | Unknown Approved UseUnknown |
Sample Use Guides
In Vivo Use Guide
Sources: https://clinicaltrials.gov/ct2/show/NCT02872259
For treatment of metastatic melanoma R428 (BGB324) is administered in capsules, 400 mg once daily for 3 days, followed by 200 mg once daily pembrolizumab 2 mg/kg IV every 3
Route of Administration:
Oral
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/20145120
A five-point R428 dose titration was performed in radiometric in vitro kinase assays on 133 kinases at the KmATP for each kinase (Millipore). Axl, Mer, and Tyro3 (Carna Biosciences) assays were also performed using a fluorescence polarization protocol.
Substance Class |
Chemical
Created
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admin
on
Edited
Sat Jun 26 09:15:20 UTC 2021
by
admin
on
Sat Jun 26 09:15:20 UTC 2021
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Record UNII |
0ICW2LX8AS
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Record Status |
Validated (UNII)
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FDA ORPHAN DRUG |
452314
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46215462
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CHEMBL2023349
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0ICW2LX8AS
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DB12411
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1037624-75-1
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1037624-75-1
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10631
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Related Record | Type | Details | ||
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TARGET -> INHIBITOR |
COMPETITIVE INHIBITOR
IC50
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Related Record | Type | Details | ||
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ACTIVE MOIETY |