Compound Detail

CHEMBL1077301

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ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1077301
Phase	Preclinical
Structure Type	BOTH
InChI Key	QEEJLLNYQOBRRM-KSHGRFHLSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

4670.4

MW (Da)

Drug Information

Molecule Type	Protein
Availability	Unknown
Chirality	Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula	C205H339N59O63S
MW	4670.38

Activity Summary

EC50 2 meas. best 8.01

Ki 2 meas. best 8.14

IC50 1 meas. best 8.92

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Corticotropin-releasing factor receptor 1 CHEMBL4649	IC50	8.92	8.92	1.2	1
Corticotropin-releasing factor receptor 1 CHEMBL1800	Ki	8.14	8.14	7.2	1
Corticotropin-releasing factor receptor 1 CHEMBL1800	EC50	8.01	8.01	9.7	1
Corticotropin-releasing factor receptor 2 CHEMBL4069	EC50	7.21	7.21	61.9	1
Corticotropin-releasing factor receptor 2 CHEMBL4069	Ki	7.06	7.06	86.4	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Corticotropin-releasing factor receptor 1	IC50	=	1.2	nM	8.92	Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex hom...	20176478
Corticotropin-releasing factor receptor 1	Ki	=	7.16	nM	8.14	Binding affinity of the receptor corticotropin releasing factor receptor with pe...	10794681
Corticotropin-releasing factor receptor 1	EC50	=	9.7	nM	8.01	Activity of peptidic agonists on corticotropin releasing factor receptor using a...	10794681
Corticotropin-releasing factor receptor 2	EC50	=	61.9	nM	7.21	Activity of peptidic agonists on h-CRF2-alpha receptor using agonist-stimulated ...	10794681
Corticotropin-releasing factor receptor 2	Ki	=	86.4	nM	7.06	Binding affinity of the receptor h-CRF2-alpha with peptidic agonists	10794681

Literature References

PubMed	DOI	Target Context	# Activities
10794681	10.1021/jm990590f	Corticotropin-releasing factor receptor 1	2
10794681	10.1021/jm990590f	Corticotropin-releasing factor receptor 2	2
26948801	10.1016/j.drudis.2016.02.015	Homo sapiens	2
1316969	10.1021/jm00088a024	Corticotropin releasing factor receptor	1
20176478	10.1016/j.bmcl.2010.01.129	Corticotropin-releasing factor receptor 1	1

Data from ChEMBL 36 via Core Engine