Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3086284

KISS1-305
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
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
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3086284
Name KISS1-305
Phase Preclinical
Structure Type MOL
InChI Key YSVWFFNZZGLLAI-XNTOLAJGSA-N

Known Names

Tp-005
3
Targets
16
Activities
3
Assay Types
9
PK Parameters
20
Publications
1
Known Names

Molecular Properties

1165.3
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug Chemical Probe

Extended Properties

Molecular Formula C56H76N16O12
MW 1165.32

Activity Summary

Ki 9 meas. best 10.05
EC50 4 meas. best 9.77
IC50 3 meas. best 8.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
KiSS-1 receptor
CHEMBL5413
 Ki 10.05 10.0275 0.1 4
KiSS-1 receptor
CHEMBL1169599
 Ki 10.0 9.925 0.1 2
KiSS-1 receptor
CHEMBL1169599
 EC50 9.77 8.885 0.2 2
KiSS-1 receptor
CHEMBL5413
 EC50 9.57 9.08 0.3 2
KiSS-1 receptor
CHEMBL5413
 IC50 8.05 8.05 8.9 3
Delta-type opioid receptor
CHEMBL236
 Ki 7.35 7.33 44.7 3

Pharmacokinetic Data

Parameter Value Units Species
AUC 239.0 ng.hr.mL-1 Rattus norvegicus
AUC 96.0 ng.hr.mL-1 Rattus norvegicus
CL 69.93 mL.min-1.kg-1 Rattus norvegicus
Cmax 124.43 nM Rattus norvegicus
F 40.4 % Rattus norvegicus
F 40.4 % Rattus norvegicus
MRT 0.38 hr Rattus norvegicus
MRT 0.61 hr Rattus norvegicus
Tmax 0.14 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
KiSS-1 receptor Ki = 0.089 nM 10.05 Binding affinity to human KISS1R expressed in CHO cell membranes 24047141
KiSS-1 receptor Ki = 0.089 nM 10.05 Cell free activity assay: Binding to human GPR54 -
KiSS-1 receptor Ki = 0.089 nM 10.05 Affinity Biochemical interaction (Binding assay (used membrane fraction of human... -
KiSS-1 receptor Ki = 0.1 nM 10.0 Binding affinity to rat KISS1R 24047141
KiSS-1 receptor Ki = 0.11 nM 9.96 Displacement of radioligand from human KISS1R transfected in CHO cells 24918545
KiSS-1 receptor Ki = 0.14 nM 9.85 Displacement of radioligand from rat KISS1R transfected in CHO cells 24918545
KiSS-1 receptor EC50 = 0.17 nM 9.77 Agonist activity at rat KISS1R 30598349
KiSS-1 receptor EC50 = 0.27 nM 9.57 Agonist activity at human KISS1R expressed in CHO cells assessed as increase in ... 30598349
KiSS-1 receptor EC50 = 2.6 nM 8.59 Agonist activity at human KISS1R transfected in CHO cells assessed as intracellu... 24918545
KiSS-1 receptor IC50 = 8.94 nM 8.05 Inhibition of human KISS1R expressed in CHO cells assessed as inhibition of KISS... 24047141
KiSS-1 receptor IC50 = 8.94 nM 8.05 Cellular activity assay: GPR54 expressing cell growth -
KiSS-1 receptor IC50 = 8.94 nM 8.05 Affinity Phenotypic Cellular interaction (Cell proliferation assay (cell growth ... -
KiSS-1 receptor EC50 = 10.0 nM 8.0 Agonist activity at rat KISS1R transfected in CHO cells assessed as intracellula... 24918545
Delta-type opioid receptor Ki = 44.67 nM 7.35 GPCRScan assay: inhibition of DOR -
Delta-type opioid receptor Ki = 47.5 nM 7.32 GPCRScan assay: inhibition of DOR -
Delta-type opioid receptor Ki = 47.5 nM 7.32 Selectivity interaction (GPCR panel (PDSP screen)) EUB0000349a OPRD1 -

Literature References

PubMed DOI Target Context # Activities
24918545 10.1021/jm5005489 Rattus norvegicus 17
- 10.6019/CHEMBL5724558 Colon cancer organoid 12
- 10.6019/CHEMBL5674860 Colon cancer organoid 12
- 10.6019/CHEMBL4689842 HEK-293T 10
24918545 10.1021/jm5005489 No relevant target 8
- 10.6019/CHEMBL4689842 U2OS 8
24047141 10.1021/jm401056w Rattus norvegicus 6
- 10.6019/CHEMBL5608141 Colon cancer organoid 6
- 10.6019/CHEMBL4689842 Fibroblast 6
30598349 10.1016/j.bmcl.2018.12.016 ADMET 6
- 10.1158/2159-8290.CD-23-0050 Colon cancer organoid 5
24918545 10.1021/jm5005489 KiSS-1 receptor 4
24047141 10.1021/jm401056w KiSS-1 receptor 4
- 10.6019/CHEMBL4507306 Delta-type opioid receptor 3
30598349 10.1016/j.bmcl.2018.12.016 KiSS-1 receptor 2
- 10.6019/CHEMBL4507306 KiSS-1 receptor 2
- 10.6019/CHEMBL5608109 Hepatocyte spheroids 2
- 10.6019/CHEMBL4507306 GABA-A receptor; anion channel 2
- 10.6019/CHEMBL4507306 5-hydroxytryptamine receptor 1A 1
24047141 10.1021/jm401056w Serum 1

Data from ChEMBL 36 via Core Engine