Details
Stereochemistry | ACHIRAL |
Molecular Formula | C20H27N7O3S |
Molecular Weight | 445.538 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CCS(=O)(=O)N1CCN(CC1)C2=CC=C(NC3=NC=C(C(N)=O)C(NC4CC4)=N3)C=C2
InChI
InChIKey=BGLPECHZZQDNCD-UHFFFAOYSA-N
InChI=1S/C20H27N7O3S/c1-2-31(29,30)27-11-9-26(10-12-27)16-7-5-15(6-8-16)24-20-22-13-17(18(21)28)19(25-20)23-14-3-4-14/h5-8,13-14H,2-4,9-12H2,1H3,(H2,21,28)(H2,22,23,24,25)
DescriptionCurator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/25253883
Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/25253883
Cerdulatinib is an oral, dual spleen tyrosine kinase (Syk) and janus kinase (JAK) inhibitor that uniquely inhibits two key cell signaling pathways that promote cancer cell growth in certain hematologic malignancies – the B-cell receptor pathway via Syk and key cytokine receptors via JAK Being developed to treat patients with hematologic cancers, specifically those who have relapsed or who have not responded to prior therapies. Cerdulatinib is in Phase 2 study evaluating the safety and efficacy of cerdulatinib in patients with relapsed/refractory B-cell malignancies who have failed multiple therapies.
Originator
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL3553 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25253883 |
0.5 nM [IC50] | ||
Target ID: CHEMBL2599 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25253883 |
32.0 nM [IC50] | ||
Target ID: CHEMBL2148 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25253883 |
8.0 nM [IC50] | ||
Target ID: CHEMBL2835 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25253883 |
12.0 nM [IC50] | ||
Target ID: CHEMBL2971 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25253883 |
6.0 nM [IC50] | ||
Target ID: CHEMBL4598 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25253883 |
4.0 nM [IC50] | ||
Target ID: CHEMBL5784 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25253883 |
4.0 nM [IC50] | ||
Target ID: CHEMBL2872 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25253883 |
5.0 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 |
Sample Use Guides
In Vivo Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/25253883
Rat: in a rat collagen-induced arthritis model, Cerdulatinib (5 mg/kg p.o.) significantly improves inflammatory infiltrate within the synovium and the integrity of the articular cartilage.
Route of Administration:
Oral
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/26575169
In biochemical assays, cerdulatinib demonstrated inhibitory activity against 24 kinases with IC50’s < 200 nM. Cerdulatinib demonstrated sensitivity to cerdulatinib with IC50 at or below ~2 uM. ABC cell lines with relatively higher total and phosphorylated STAT3 displayed good sensitivity to the drug with IC50 ranging from 0.29 to 1.80 uM.
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Classification Tree | Code System | Code | ||
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FDA ORPHAN DRUG |
651118
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DB15499
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DTXSID001115521
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Cerdulatinib
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300000014440
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CHEMBL3545284
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C113173
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ACTIVE MOIETY
SALT/SOLVATE (PARENT)