Compound Detail

CHEMBL507480

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CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C)C(C)C)[C@@H](C)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL507480
Phase	Preclinical
Structure Type	BOTH
InChI Key	HVFBYLQDWMQSMM-FOKAWQFJSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

3223.8

MW (Da)

Drug Information

Molecule Type	Protein
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C148H228N40O39S
MW	3223.76

Activity Summary

IC50 3 meas. best 8.35

EC50 1 meas. best 9.0

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Pituitary adenylate cyclase-activating polypeptide type I receptor CHEMBL5399	EC50	9.0	9.0	1.0	1
Pituitary adenylate cyclase-activating polypeptide type I receptor CHEMBL5399	IC50	8.35	8.35	4.5	1
Vasoactive intestinal polypeptide receptor 1 CHEMBL5144	IC50	7.85	7.85	14.1	1
Vasoactive intestinal polypeptide receptor 2 CHEMBL4532	IC50	7.64	7.64	22.9	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Pituitary adenylate cyclase-activating polypeptide type I receptor	EC50	=	1.0	nM	9.0	Agonist activity at human recombinant PAC1 receptor expressed in CHO cells asses...	19413310
Pituitary adenylate cyclase-activating polypeptide type I receptor	IC50	=	4.5	nM	8.35	Displacement of [125I]Ac-PACAP27 from human recombinant PAC1 receptor expressed ...	19413310
Vasoactive intestinal polypeptide receptor 1	IC50	=	14.13	nM	7.85	Displacement of Ac-[125I]-PACAP27 from recombinant human VPAC1 expressed in CHO ...	26448038
Vasoactive intestinal polypeptide receptor 2	IC50	=	22.91	nM	7.64	Displacement of Ac-[125I]-PACAP27 from recombinant human VPAC2 expressed in CHO ...	26448038

Literature References

PubMed	DOI	Target Context	# Activities
19413310	10.1021/jm900291j	Pituitary adenylate cyclase-activating polypeptide type I receptor	3
26448038	10.1016/j.ejmech.2015.09.017	Vasoactive intestinal polypeptide receptor 1	1
26448038	10.1016/j.ejmech.2015.09.017	Vasoactive intestinal polypeptide receptor 2	1

Data from ChEMBL 36 via Core Engine