Compound Detail

CHEMBL386306

SPANTIDE

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CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C(Cl)C(Cl)CN1C(=O)[C@H](C)NC(=O)[C@@H]1C(c2cccnc2)CCN1C(=O)[C@H](CCCCN)NC(=O)c1cccnc1)C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL386306
Name	SPANTIDE
Phase	Preclinical
Structure Type	MOL
InChI Key	GFMHGFPPCYBUCK-HBUFSDLISA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1669.8

MW (Da)

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C86H103Cl2N17O14
MW	1669.78

Activity Summary

IC50 2 meas. best 6.3

Kd 1 meas. best 6.37

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Cavia porcellus CHEMBL369	Kd	6.37	6.37	426.6	1
Substance-P receptor CHEMBL4027	IC50	6.3	6.3	500.0	2

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Cavia porcellus	Kd	=	426.58	nM	6.37	pA2 was evaluated from schild analyses of the guinea pig ileum contractility dat...	1373191
Substance-P receptor	IC50	=	500.0	nM	6.3	Binding affinity for tachykinin receptor 1 from rat forebrain tissue, [125I]-BH-...	1851847
Substance-P receptor	IC50	=	500.0	nM	6.3	Inhibition of Tachykinin receptor 1 of rat forebrain tissue	1373191

Literature References

PubMed	DOI	Target Context	# Activities
1851847	10.1021/jm00109a034	Substance-P receptor	1
1373191	10.1021/jm00085a015	Substance-P receptor	1
1373191	10.1021/jm00085a015	Cavia porcellus	1
1373191	10.1021/jm00085a015	Rattus norvegicus	1

Data from ChEMBL 36 via Core Engine