Compound Detail

CHEMBL4294827

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

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4294827
Phase	Preclinical
Structure Type	MOL
InChI Key	WIWSXXMRBOHJHR-WOARLTOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

3778.3

MW (Da)

Drug Information

Molecule Type	Unknown
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C171H270N50O47
MW	3778.34

Activity Summary

EC50 2 meas. best 10.11

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Vasoactive intestinal polypeptide receptor 2 CHEMBL4532	EC50	10.11	10.11	0.1	1
Vasoactive intestinal polypeptide receptor 1 CHEMBL5144	EC50	9.71	9.71	0.2	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Vasoactive intestinal polypeptide receptor 2	EC50	=	0.07845	nM	10.11	Agonist activity at human VIPR2 expressed in CHOK1 cells assessed as intracellul...	-
Vasoactive intestinal polypeptide receptor 1	EC50	=	0.1952	nM	9.71	Agonist activity at human VIPR1 expressed in CHOK1 cells assessed as intracellul...	-

Data from ChEMBL 36 via Core Engine