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Compound Detail

CHEMBL2152060

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CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

Basic Information

ChEMBL ID CHEMBL2152060
Phase Preclinical
Structure Type BOTH
InChI Key AJQWFQOBWMTQBA-IPHVNIDGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

1316.5
MW (Da)

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C64H85N17O14
MW 1316.49

Activity Summary

EC50 1 meas. best 10.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
KiSS-1 receptor
CHEMBL5413
EC50 10.54 10.54 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
KiSS-1 receptor EC50 = 0.029 nM 10.54 Agonist activity at human OT7T175 assessed as increase in intracellular calcium ... 22995619

Literature References

PubMed DOI Target Context # Activities
22995619 10.1016/j.bmcl.2012.08.087 KiSS-1 receptor 2
22995619 10.1016/j.bmcl.2012.08.087 No relevant target 1

Data from ChEMBL 36 via Core Engine