Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C28H32N4O3S.ClH |
| Molecular Weight | 541.105 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CCS(=O)(=O)C1=CC(=CC=C1)C2=CC(C(=O)NC3CCN(C)CC3)=C(C)C4=C2C5=C(N4)N=CC(C)=C5
InChI
InChIKey=VJCDELBBEITKBS-UHFFFAOYSA-N
InChI=1S/C28H32N4O3S.ClH/c1-5-36(34,35)21-8-6-7-19(14-21)23-15-22(28(33)30-20-9-11-32(4)12-10-20)18(3)26-25(23)24-13-17(2)16-29-27(24)31-26;/h6-8,13-16,20H,5,9-12H2,1-4H3,(H,29,31)(H,30,33);1H
| Molecular Formula | C28H32N4O3S |
| Molecular Weight | 504.644 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/23358665 | http://www.bloodjournal.org/content/118/21/581Curator's Comment: Description was created based on several sources, including
http://www.pharmacodia.com/yaodu/html/v1/chemicals/b13c180ba3b4c0afdd38ed2cb91fc498.html
http://www.eurodiagnostico.com/media/pdf/TAK-901.pdf
Sources: https://www.ncbi.nlm.nih.gov/pubmed/23358665 | http://www.bloodjournal.org/content/118/21/581
Curator's Comment: Description was created based on several sources, including
http://www.pharmacodia.com/yaodu/html/v1/chemicals/b13c180ba3b4c0afdd38ed2cb91fc498.html
http://www.eurodiagnostico.com/media/pdf/TAK-901.pdf
Millennium (a wholly-owned subsidiary of Takeda) was developing TAK- 901 for the treatment of cancer. TAK-901 is an inhibitor of Aurora A/B with IC50 of 21 nM/15 nM. It is not a potent inhibitor of cellular JAK2, c-Src or Abl. TAK-901 is in phase I clinical trials by Millennium Pharmaceuticals for the treatment of advanced hematological malignancies. TAK-901 had been in phase I clinical trials for solid tumors. However, this study was discontinued.
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL2185 |
15.0 nM [IC50] | ||
Target ID: CHEMBL4722 |
21.0 nM [IC50] |
Conditions
| Condition | Modality | Targets | Highest Phase | Product |
|---|---|---|---|---|
| Primary | Unknown Approved UseUnknown |
|||
| Primary | Unknown Approved UseUnknown |
|||
| Primary | Unknown Approved UseUnknown |
Sample Use Guides
Rats:Tumor regressions were observed at the highest dose
levels of TAK-901 in several xenograft models, including
95% at 45 mg/kg twice daily in (nude rat) ovarian A2780 model
Route of Administration:
Intravenous
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 17:00:37 GMT 2023
by
admin
on
Fri Dec 15 17:00:37 GMT 2023
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| Record UNII |
3Y4400C9E8
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| Record Status |
Validated (UNII)
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