Compound Detail

CHEMBL264043

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CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C3CCCC3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)c(Cl)c3)C(=O)O[C@]12C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL264043
Phase	Preclinical
Structure Type	MOL
InChI Key	LSWFHLLLERACMP-HBSLEZBNSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1000.1

MW (Da)

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C51H80Cl2N2O13
MW	1000.11

Activity Summary

Ki 1 meas. best 8.82

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Gonadotropin-releasing hormone receptor CHEMBL1855	Ki	8.82	8.82	1.5	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Gonadotropin-releasing hormone receptor	Ki	=	1.514	nM	8.82	Binding affinity against human luteinizing releasing hormone receptor cloned in ...	15006412

Literature References

PubMed	DOI	Target Context	# Activities
15006412	10.1016/j.bmcl.2003.12.059	Gonadotropin-releasing hormone receptor	1
15006412	10.1016/j.bmcl.2003.12.059	Staphylococcus aureus	1
15006412	10.1016/j.bmcl.2003.12.059	Staphylococcus epidermidis	1
15006412	10.1016/j.bmcl.2003.12.059	Micrococcus luteus	1
15006412	10.1016/j.bmcl.2003.12.059	Enterococcus faecium	1
15006412	10.1016/j.bmcl.2003.12.059	Streptococcus equinus	1
15006412	10.1016/j.bmcl.2003.12.059	Streptococcus agalactiae	1
15006412	10.1016/j.bmcl.2003.12.059	Streptococcus pyogenes	1

Data from ChEMBL 36 via Core Engine