Compound Detail

CHEMBL5532322

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CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@H](C)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5532322
Phase	Preclinical
Structure Type	MOL
InChI Key	VWKPODSFIQAREM-YKIHEFEISA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

3986.4

MW (Da)

Drug Information

Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C170H266N50O57S2
MW	3986.42

Activity Summary

EC50 2 meas. best 8.97

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Amylin receptor AMY3; CALCR/RAMP3 CHEMBL2111190	EC50	8.97	8.97	1.1	1
Calcitonin receptor CHEMBL1832	EC50	8.08	8.08	8.3	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Amylin receptor AMY3; CALCR/RAMP3	EC50	=	1.061	nM	8.97	Agonist activity at human AMY3R complex of CTR/RAMP3 expressed in Baby hamster k...	38960379
Calcitonin receptor	EC50	=	8.309	nM	8.08	Agonist activity at human CTR expressed in Baby hamster kidney cells incubated f...	38960379

Literature References

PubMed	DOI	Target Context	# Activities
38960379	10.1021/acs.jmedchem.4c00022	Unchecked	3
38960379	10.1021/acs.jmedchem.4c00022	Amylin receptor AMY3; CALCR/RAMP3	1
38960379	10.1021/acs.jmedchem.4c00022	Calcitonin receptor	1

Data from ChEMBL 36 via Core Engine