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Compound Detail

CHEMBL3261784

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CC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(N)=O

Basic Information

ChEMBL ID CHEMBL3261784
Phase Preclinical
Structure Type BOTH
InChI Key WPBSYFCNNAGTBS-LOIKTUNESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

1091.4
MW (Da)

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C50H90N16O11
MW 1091.37

Activity Summary

EC50 1 meas. best 6.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Apelin receptor
CHEMBL1628481
EC50 6.31 6.31 494.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Apelin receptor EC50 = 494.0 nM 6.31 Agonist activity at APJ receptor (unknown origin) expressed in CHO cells co-expr... 24755525

Literature References

PubMed DOI Target Context # Activities
24755525 10.1016/j.bmc.2014.04.001 Apelin receptor 2
24755525 10.1016/j.bmc.2014.04.001 No relevant target 1

Data from ChEMBL 36 via Core Engine