Compound Detail

CHEMBL4299313

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CCCCC(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]1CCCCNC(=O)CC[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)C(C)(C)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](C)NC(=O)C(CCCC)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(=O)O)NC(=O)CCOCCOCCOCCOCCOCCOCCN)[C@@H](C)O)C(C)C)C(=O)N[C@H](C)C(=O)NC(C)(C)C(=O)N1)C(=O)N[C@@H](CCC(=O)O)C(=O)NC(C)(C)C(=O)N[C@H](C(N)=O)[C@@H](C)CC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4299313
Phase	Preclinical
Structure Type	MOL
InChI Key	BRNVZHKREJSUAP-UFBSZGBQSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

4119.8

MW (Da)

Drug Information

Molecule Type	Unknown
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C184H313N51O55
MW	4119.83

Activity Summary

Ki 4 meas. best 8.97

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Corticotropin-releasing factor receptor 2 CHEMBL2253	Ki	8.97	8.825	1.1	2
Corticotropin-releasing factor receptor 1 CHEMBL1800	Ki	8.52	8.49	3.0	2

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Corticotropin-releasing factor receptor 2	Ki	=	1.07	nM	8.97	Displacement of [125ITyr0-Glu1]-PD-Svg in mouse CRF-R2 beta expressed in COS-M6 ...	26789203
Corticotropin-releasing factor receptor 2	Ki	=	2.11	nM	8.68	Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in mouse CRF-R2 beta expressed in C...	26789203
Corticotropin-releasing factor receptor 1	Ki	=	3.0	nM	8.52	Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in human CRF-R1 expressed in COS-M6...	26789203
Corticotropin-releasing factor receptor 1	Ki	=	3.5	nM	8.46	Displacement of [125ITyr0-Glu1]-PD-Svg in human CRF-R1 expressed in COS-M6 cells...	26789203

Literature References

PubMed	DOI	Target Context	# Activities
26789203	10.1021/acs.jmedchem.5b00926	No relevant target	6
26789203	10.1021/acs.jmedchem.5b00926	Corticotropin-releasing factor receptor 2	2
26789203	10.1021/acs.jmedchem.5b00926	Corticotropin-releasing factor receptor 1	2

Data from ChEMBL 36 via Core Engine