Details
Stereochemistry | ACHIRAL |
Molecular Formula | C15H15N7O.2CH4O3S |
Molecular Weight | 501.537 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.CS(O)(=O)=O.CC(C)N1N=C(C2=C(N)N=CN=C12)C3=CC=C4OC(N)=NC4=C3
InChI
InChIKey=RIAVGZKNRXZPEG-UHFFFAOYSA-N
InChI=1S/C15H15N7O.2CH4O3S/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10;2*1-5(2,3)4/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19);2*1H3,(H,2,3,4)
Molecular Formula | CH4O3S |
Molecular Weight | 96.106 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C15H15N7O |
Molecular Weight | 309.3259 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Sapanisertib is an oral dual inhibitor of mTORC1/mTORC2, discovered by Intellikine for the treatment of cancer. The drug is being tested in phase II of clinical trials for different cancers among which are sarcoma, hepatocellular carcinoma, etc. The drug is currently developed by Takeda with breast cancer, renal cancer and endometrial cancer being the main target indications.
Originator
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL2221341 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23090679 |
1.0 nM [IC50] | ||
Target ID: mTORC2 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23090679 |
1.0 nM [IC50] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Primary | Unknown Approved UseUnknown |
|||
Primary | Unknown Approved UseUnknown |
|||
Primary | Unknown Approved UseUnknown |
Overview
CYP3A4 | CYP2C9 | CYP2D6 | hERG |
---|---|---|---|
OverviewOther
Other Inhibitor | Other Substrate | Other Inducer |
---|---|---|
Drug as perpetrator
Target | Modality | Activity | Metabolite | Clinical evidence |
---|---|---|---|---|
inconclusive [IC50 16.933 uM] | ||||
no [Inhibition 10 uM] | ||||
no [Inhibition 10 uM] | ||||
no | ||||
no | ||||
weak [IC50 51.9 uM] | ||||
weak | ||||
yes [IC50 0.0013 uM] | ||||
yes [IC50 1.9 uM] |
Drug as victim
Target | Modality | Activity | Metabolite | Clinical evidence |
---|---|---|---|---|
yes | ||||
yes | ||||
yes | ||||
yes | ||||
yes | ||||
yes |
Tox targets
Target | Modality | Activity | Metabolite | Clinical evidence |
---|---|---|---|---|
Sample Use Guides
Patients were receiving 15, 20 or 30 mg of sapanisertib orally on days 1, 8, 15 and 22.
Route of Administration:
Oral
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/27391151
AML cell lines (OCI-AML3, U937, and MV4-11) were treated with different concentrations (6 nM, 18,5 nM, 56 nM, 166 nM, 500 nM) of sapanisertib for 72 hours and growth inhibition of cell lines was measured by Vi-Cell XR cell viability analyzer. AML samples were treated with 25 nM of the drug to study its anti-leukemic efficacy.
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 06:18:17 GMT 2023
by
admin
on
Sat Dec 16 06:18:17 GMT 2023
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Record UNII |
SB2601C5MF
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Record Status |
Validated (UNII)
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Record Version |
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-
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SB2601C5MF
Created by
admin on Sat Dec 16 06:18:17 GMT 2023 , Edited by admin on Sat Dec 16 06:18:17 GMT 2023
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126480210
Created by
admin on Sat Dec 16 06:18:17 GMT 2023 , Edited by admin on Sat Dec 16 06:18:17 GMT 2023
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1422006-39-0
Created by
admin on Sat Dec 16 06:18:17 GMT 2023 , Edited by admin on Sat Dec 16 06:18:17 GMT 2023
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |