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

CHEMBL4519563

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
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4519563
Phase Preclinical
Structure Type MOL
InChI Key PZGBTYWDTQVOSK-URUKBCEASA-N
2
Targets
8
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

4111.7
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C179H305N45O64
MW 4111.66

Activity Summary

EC50 4 meas. best 10.96
IC50 4 meas. best 10.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Calcitonin receptor
CHEMBL1832
 EC50 10.96 10.78 0.0 2
Amylin receptor AMY3; CALCR/RAMP3
CHEMBL2111190
 EC50 10.74 10.455 0.0 2
Calcitonin receptor
CHEMBL1832
 IC50 10.3 9.875 0.1 2
Amylin receptor AMY3; CALCR/RAMP3
CHEMBL2111190
 IC50 9.79 9.58 0.2 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Calcitonin receptor EC50 = 0.011 nM 10.96 Agonist activity at human calcitonin receptor expressed in BHK570 cells assessed... -
Amylin receptor AMY3; CALCR/RAMP3 EC50 = 0.018 nM 10.74 Agonist activity at human amylin receptor expressed in BHK570 cells co-expressin... -
Calcitonin receptor EC50 = 0.025 nM 10.6 Agonist activity at human calcitonin receptor expressed in BHK570 cells assessed... -
Calcitonin receptor IC50 = 0.05 nM 10.3 Displacement of [125I]-labeled human calcitonin from human calcitonin receptor e... -
Amylin receptor AMY3; CALCR/RAMP3 EC50 = 0.068 nM 10.17 Agonist activity at human amylin receptor expressed in BHK570 cells co-expressin... -
Amylin receptor AMY3; CALCR/RAMP3 IC50 = 0.164 nM 9.79 Displacement of [125I]-labeled rat amylin from human amylin receptor expressed i... -
Calcitonin receptor IC50 = 0.352 nM 9.45 Displacement of [125I]-labeled human calcitonin from human calcitonin receptor e... -
Amylin receptor AMY3; CALCR/RAMP3 IC50 = 0.432 nM 9.37 Displacement of [125I]-labeled rat amylin from human amylin receptor expressed i... -

Data from ChEMBL 36 via Core Engine