KISS1-305 |
Agonist of KISS1R
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| KISS1R |
|
|
Agonist
10-1000 nM
Selectivity
In Vitro Selectivity Assessment
Selectivity Assessment Description:
Binding against NPFFR2 (GPR74) and NPFFR1 (GPR147) >30 fold
Clean GPCR scan with the exception for O ...
Potency Cellular
In Vitro
KISS1R
Mode of Action: Agonist
Structure-Activity-Relationship data available? No
DOI Reference: 10.1021/jm401056w
In Vivo Validations
Negative Control Compounds
Chemical Information
| Molecular Formula | C56H76N16O12 |
| SMILEs | CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |
| InChI | InChI=1S/C56H76N16O12/c1-32(2)25-41(50(79)64-39(15-10-22-63-55(60)61-3)49(78)65-40(47(59)76)27-33-11-6-4-7-12-33)70-56(84)72-71-54(83)43(28-34-13-8-5-9-14-34)67-53(82)45(31-73)69-52(81)44(30-46(58)75)68-51(80)42(29-36-20-23-62-24-21-36)66-48(77)38(57)26-35-16-18-37(74)19-17-35/h4-9,11-14,16-21,23-24,32,38-45,73-74H,10,15,22,25-31,57H2,1-3H3,(H2,58,75)(H2,59,76)(H,64,79)(H,65,78)(H,66,77)(H,67,82)(H,68,80)(H,69,81)(H,71,83)(H3,60,61,63)(H2,70,72,84)/t38-,39+,40+,41+,42-,43+,44+,45+/m1/s1 |
| Molecular weight | 1164.58 Da |
| AlogP | -3.0840300000000225 |
| HBond acceptors | 28 |
| HBond donors | 20 |
| Atoms | 160 |