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Compound Detail

CHEMBL514849

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CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O

Basic Information

ChEMBL ID CHEMBL514849
Phase Preclinical
Structure Type BOTH
InChI Key HLVAFEUAAXYYIR-WIPJMHCCSA-N
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

1694.0
MW (Da)

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C76H124N24O18S
MW 1694.05

Activity Summary

EC50 3 meas. best 7.5
IC50 1 meas. best 4.98

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Parathyroid hormone/parathyroid hormone-related peptide receptor
CHEMBL1793
EC50 7.5 6.8 32.0 2
Parathyroid hormone/parathyroid hormone-related peptide receptor
CHEMBL6038
EC50 6.81 6.81 155.0 1
Parathyroid hormone/parathyroid hormone-related peptide receptor
CHEMBL1793
IC50 4.98 4.98 10484.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17428923 10.1073/pnas.0605125104 Parathyroid hormone/parathyroid hormone-related peptide receptor 4

Data from ChEMBL 36 via Core Engine