Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C19H17N5O3 |
| Molecular Weight | 363.37 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
NC1=NC2=C(O1)C=CC(=C2)C3=CN4C(=CN=C4C=C3)C(=O)N5CCOCC5
InChI
InChIKey=BLGWHBSBBJNKJO-UHFFFAOYSA-N
InChI=1S/C19H17N5O3/c20-19-22-14-9-12(1-3-16(14)27-19)13-2-4-17-21-10-15(24(17)11-13)18(25)23-5-7-26-8-6-23/h1-4,9-11H,5-8H2,(H2,20,22)
| Molecular Formula | C19H17N5O3 |
| Molecular Weight | 363.37 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
DescriptionCurator's Comment: The description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/24915189 | https://www.ncbi.nlm.nih.gov/pubmed/28490463
Curator's Comment: The description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/24915189 | https://www.ncbi.nlm.nih.gov/pubmed/28490463
Serabelisib (INK1117 and TAK-117) is an orally bioavailable, PI3K p110α- isoform-specific inhibitor with an in vitro IC50 of 15 nM, highly selective against other isoforms (p110β, p110γ, and p110δ) and mTOR (no significant inhibitions at 1 μM concentration). It displayed significant efficacy in several PI3Kα mutant-specific preclinical mouse xenograft tumor models, and blocked signaling to Akt and inhibited the growth of cancer cells harboring wild-type or mutated p110α. Preclinical studies showed TAK-117 to have the low potential for disrupting glucose metabolism or for causing cardiac adverse events; in rats and monkeys, doses up to 50 mg/kg/day were well tolerated. Serabelisib is currently under clinical evaluation.
Originator
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL4005 |
15.0 nM [IC50] | ||
Target ID: CHEMBL3145 |
4500.0 nM [IC50] | ||
Target ID: CHEMBL3267 |
1900.0 nM [IC50] | ||
Target ID: CHEMBL3130 |
13900.0 nM [IC50] |
Conditions
| Condition | Modality | Targets | Highest Phase | Product |
|---|---|---|---|---|
| Primary | Unknown Approved UseUnknown |
|||
| Primary | Unknown Approved UseUnknown |
|||
| Primary | Unknown Approved UseUnknown |
Sample Use Guides
In total, 24 patients were assigned to once-daily (6 at 100 mg, 6 at 150 mg, 8 at 200 mg, and 4 at 300 mg), 27 to Monday–Wednesday–Friday (MWF) (3 patients each at 200, 300, 400, and 600 mg, 12 at 900 mg, and 3 at 1,200 mg), and 20 to MTuW (3 patients each at 200, 400, and 600 mg, and 11 patients at 900 mg) dosing.
Route of Administration:
Oral
SK-OV-3 and U87MG cell lines were obtained from ATCC. A total of 5000 cells/well in low serum media (0.2% FBS) were seeded in triplicate wells of a 96-well flat bottom culture plate for 18 h to adhere. Media was aspirated and inhibitors in 0.2% FBS media were added to each well at the indicated concentrations. After 48 h, cell viability was determined using the MTS assay (Cell Titer 96 Aqueous One solution cell proliferation assay kit; Promega) with absorbance (490 nm) measured in a microplate spectrophotometer.
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 05:27:12 GMT 2023
by
admin
on
Sat Dec 16 05:27:12 GMT 2023
|
| Record UNII |
43J9Q56T3W
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Official Name | English | ||
|
Code | English | ||
|
Code | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Code | English | ||
|
Systematic Name | English | ||
|
Systematic Name | English | ||
|
Code | English | ||
|
Code | English | ||
|
Code | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
|
NCI_THESAURUS |
C129825
Created by
admin on Sat Dec 16 05:27:12 GMT 2023 , Edited by admin on Sat Dec 16 05:27:12 GMT 2023
|
||
|
NCI_THESAURUS |
C2152
Created by
admin on Sat Dec 16 05:27:12 GMT 2023 , Edited by admin on Sat Dec 16 05:27:12 GMT 2023
|
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
1268454-23-4
Created by
admin on Sat Dec 16 05:27:12 GMT 2023 , Edited by admin on Sat Dec 16 05:27:12 GMT 2023
|
PRIMARY | |||
|
1428967-74-1
Created by
admin on Sat Dec 16 05:27:12 GMT 2023 , Edited by admin on Sat Dec 16 05:27:12 GMT 2023
|
NO STRUCTURE GIVEN | |||
|
C98844
Created by
admin on Sat Dec 16 05:27:12 GMT 2023 , Edited by admin on Sat Dec 16 05:27:12 GMT 2023
|
PRIMARY | |||
|
CHEMBL3545379
Created by
admin on Sat Dec 16 05:27:12 GMT 2023 , Edited by admin on Sat Dec 16 05:27:12 GMT 2023
|
PRIMARY | |||
|
70798655
Created by
admin on Sat Dec 16 05:27:12 GMT 2023 , Edited by admin on Sat Dec 16 05:27:12 GMT 2023
|
PRIMARY | |||
|
100000174654
Created by
admin on Sat Dec 16 05:27:12 GMT 2023 , Edited by admin on Sat Dec 16 05:27:12 GMT 2023
|
PRIMARY | |||
|
43J9Q56T3W
Created by
admin on Sat Dec 16 05:27:12 GMT 2023 , Edited by admin on Sat Dec 16 05:27:12 GMT 2023
|
PRIMARY | |||
|
DB14935
Created by
admin on Sat Dec 16 05:27:12 GMT 2023 , Edited by admin on Sat Dec 16 05:27:12 GMT 2023
|
PRIMARY | |||
|
CHEMBL3545055
Created by
admin on Sat Dec 16 05:27:12 GMT 2023 , Edited by admin on Sat Dec 16 05:27:12 GMT 2023
|
PRIMARY | |||
|
10369
Created by
admin on Sat Dec 16 05:27:12 GMT 2023 , Edited by admin on Sat Dec 16 05:27:12 GMT 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
TARGET -> INHIBITOR |
Selective, oral bioavailable PI3Kα isoform inhibitor s more than 100-fold selective than other class I
PI3K isoforms and mTOR as well as a high degree of selectivity against a large panel of protein kinases with potential antitumor activity.
IC50
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
ACTIVE MOIETY |
|
