Compound Detail

CHEMBL499179

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CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@H](C(=O)O)[C@@H](C)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL499179
Phase	Preclinical
Structure Type	BOTH
InChI Key	YWWOWEJNZKADMM-INAUZTMPSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

3070.4

MW (Da)

Drug Information

Molecule Type	Protein
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C136H205N41O41
MW	3070.38

Activity Summary

Kd 3 meas. best 9.4

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Galanin receptor type 1 CHEMBL4894	Kd	9.4	9.4	0.4	1
Galanin receptor type 2 CHEMBL3176	Kd	8.64	8.64	2.3	1
Galanin receptor type 3 CHEMBL2731	Kd	7.16	7.16	69.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Galanin receptor type 1	Kd	=	0.4	nM	9.4	Binding affinity to human GalR1	19053761
Galanin receptor type 2	Kd	=	2.3	nM	8.64	Binding affinity to human GalR2	19053761
Galanin receptor type 3	Kd	=	69.0	nM	7.16	Binding affinity to human GalR3	19053761

Literature References

PubMed	DOI	Target Context	# Activities
19053761	10.1021/jm801088x	Galanin receptor type 1	1
19053761	10.1021/jm801088x	Galanin receptor type 2	1
19053761	10.1021/jm801088x	Galanin receptor type 3	1

Data from ChEMBL 36 via Core Engine