Compound Detail

CHEMBL2372071

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Free Research Context This compound will appear in recent viewed items on the research home for this browser.

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2372071
Phase	Preclinical
Structure Type	BOTH
InChI Key	UFBNSKYNZDUWSN-RZGVDQIZSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1387.7

MW (Da)

Drug Information

Molecule Type	Protein
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C66H102N18O13S
MW	1387.72

Activity Summary

EC50 2 meas. best 8.92

Ki 1 meas. best 8.96

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Substance-P receptor CHEMBL249	Ki	8.96	8.96	1.1	1
CHO CHEMBL613853	EC50	8.92	8.46	1.2	2

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Substance-P receptor	Ki	=	1.1	nM	8.96	Compound was evaluated for affinity towards human tachykinin NK-1 receptor expre...	9871768
CHO	EC50	=	1.2	nM	8.92	Compound was evaluated for the inhibition of IPs hydrolysis on intact CHO cells ...	9871768
CHO	EC50	=	10.0	nM	8.0	Compound was evaluated for the inhibition of cAMP formation on intact CHO cells ...	9871768

Literature References

PubMed	DOI	Target Context	# Activities
9871768	10.1016/s0960-894x(98)00219-4	CHO	2
9871768	10.1016/s0960-894x(98)00219-4	Substance-P receptor	1

Data from ChEMBL 36 via Core Engine