Compound Detail

CHEMBL2107422

GECLOSPORIN

🧪 Phase II

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🧪 Phase II

C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CCC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2107422
Name	GECLOSPORIN
Phase	Phase II
Structure Type	BOTH
InChI Key	ZMKGDQSIRSGUDJ-VSROPUKISA-N

Known Names

Cyclosporin a, 7-l-norvaline- Cyclosporin g Cyclosporin-g Cyclosporine g Geclosporin Geclosporina Geclosporine OG-37-325 OG37325 SDZ-37-325 SDZ37325

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1216.7

MW (Da)

Drug Information

Molecule Type	Protein
Chirality	Single Enantiomer

Flags

Natural Product

USAN Stem

-closporin

Extended Properties

Molecular Formula	C63H113N11O12
MW	1216.66

Activity Summary

IC50 4 meas. best 7.89

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Interleukin-2 CHEMBL2466	IC50	7.89	7.89	13.0	1
Mus musculus CHEMBL375	IC50	7.34	7.34	46.0	1
Peptidyl-prolyl cis-trans isomerase A CHEMBL1949	IC50	6.89	6.7	130.0	2

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Interleukin-2	IC50	=	13.0	nM	7.89	The compound was evaluated in vitro for the immunosuppressive activity in interl...	7650689
Mus musculus	IC50	=	46.0	nM	7.34	The compound was evaluated in vitro for the immunosuppressive activity in mouse ...	7650689
Peptidyl-prolyl cis-trans isomerase A	IC50	=	130.0	nM	6.89	In vitro binding affinity against cyclophilin A by rotamase assay	7650689
Peptidyl-prolyl cis-trans isomerase A	IC50	=	310.0	nM	6.51	In vitro binding affinity against cyclophilin A by ELISA	7650689

Literature References

PubMed	DOI	Target Context	# Activities
7650689	10.1021/jm00017a020	Unchecked	4
7650689	10.1021/jm00017a020	Peptidyl-prolyl cis-trans isomerase A	2
7650689	10.1021/jm00017a020	Mus musculus	1
7650689	10.1021/jm00017a020	Interleukin-2	1
-	10.1016/S0960-894X(01)80716-2	Unchecked	1
-	10.1016/S0960-894X(01)80716-2	T-cell	1
-	10.1016/S0960-894X(01)80716-2	Mus musculus	1

Data from ChEMBL 36 via Core Engine