BY13 |
BY13 : Degrader (PROTAC) of NCOA3
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| NCOA3 |
|
Degrader (PROTAC)
up to 1 uM
Selectivity
In Cell Selectivity Assessment
Potency Assay Off-Target:
Global quantitative proteomics screen was conducted in LCC2 cells after 36 h of treatment with BY13. ...
Selectivity Assessment Description:
Both ERα and CDK4 protein levels were profoundly downregulated by BY13.
BY13 containing pomalidomid ...
Potency Cellular
In Vitro
NCOA3
Mode of Action: Degrader (PROTAC)
Structure-Activity-Relationship data available? No
DOI Reference: 10.1021/acs.jmedchem.5c00425
In Vivo Validations
Mouse
Dose: 2 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
3.44 ± 0.26 h
Systemic clearance:
96.75 ± 31.97 mL/min/kg
Cmax:
147.85 ± 54.69 ng/mL
Area Under the Curve::
318.39 ± 95.66 h*ng/mL
Volume of Distribution at Steady-State:
29.14 ± 9.09 L/Kg
DOI Reference: 10.1021/acs.jmedchem.5c00425
Dose: 4 mg/Kg
Route of delivery:
Intraperitoneal
Plasma half life:
3.46 ± 0.53 h
Cmax:
31.19 ± 4.6 ng/mL
Tmax:
0.33 h
Area Under the Curve::
49.14 ± 11.7 h*ng/mL
Bioavailability:
8%
DOI Reference: 10.1021/acs.jmedchem.5c00425
Dose: 20 mg/Kg
Route of delivery:
Oral
Plasma half life:
4.49 ± 0.14 h
Cmax:
25.44 ± 4.43 ng/mL
Tmax:
0.33 h
Area Under the Curve::
47.07 ± 4.69 h*ng/mL
Bioavailability:
1%
DOI Reference: 10.1021/acs.jmedchem.5c00425
Negative Control Compounds
canSAR7437553
Notes: At 1 uM, BY13-Neg was not able to significantly degrade SRC-3 in cells.
Chemical Information
| Molecular Formula | C35H35N9O4 |
| SMILEs | C/C(=N\Nc1nc2ccccc2n1C1CN(C2CCN(c3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C1)c1ccccn1 |
| InChI | InChI=1S/C35H35N9O4/c1-21(25-8-4-5-16-36-25)39-40-35-37-26-9-2-3-10-27(26)43(35)23-19-42(20-23)22-14-17-41(18-15-22)28-11-6-7-24-31(28)34(48)44(33(24)47)29-12-13-30(45)38-32(29)46/h2-11,16,22-23,29H,12-15,17-20H2,1H3,(H,37,40)(H,38,45,46)/b39-21+ |
| Molecular weight | 645.28 Da |
| AlogP | 3.194300000000001 |
| HBond acceptors | 13 |
| HBond donors | 2 |
| Atoms | 83 |