Compound Detail

CHEMBL437671

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CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL437671
Phase	Preclinical
Structure Type	MOL
InChI Key	GXYFOTLYHIPWJN-PRRWBIQWSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

3256.8

MW (Da)

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C146H227N43O38S2
MW	3256.82

Activity Summary

Ki 2 meas. best 8.28

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Neuropeptide Y receptor type 2 CHEMBL4018	Ki	8.28	8.28	5.2	1
Neuropeptide Y receptor type 1 CHEMBL4777	Ki	7.06	7.06	87.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Neuropeptide Y receptor type 2	Ki	=	5.2	nM	8.28	Tested against neuropeptide Y2 receptors using SK-N-BE2 human neuroblastoma cell...	8426366
Neuropeptide Y receptor type 1	Ki	=	87.0	nM	7.06	Tested against neuropeptide Y1 receptors using SK-N-MC human neuroblastoma cells	8426366

Literature References

PubMed	DOI	Target Context	# Activities
8426366	10.1021/jm00055a010	Neuropeptide Y receptor type 1	1
8426366	10.1021/jm00055a010	Neuropeptide Y receptor type 2	1

Data from ChEMBL 36 via Core Engine