Compound Detail

CHEMBL4561959

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NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CCCCCC#Cc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)C[C@H](NC(=O)c3cc4cc(C(F)(F)P(=O)(O)O)ccc4[nH]3)C(=O)N21)C(=O)NCc1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4561959
Phase	Preclinical
Structure Type	MOL
InChI Key	JMUHWFNJLJLSLE-UCJSLEDASA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1082.1

MW (Da)

Drug Information

Molecule Type	Unknown
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C53H58F2N9O12P
MW	1082.07

Activity Summary

IC50 2 meas. best 6.68

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	6.68	6.68	210.0	1
SU-DHL-1 CHEMBL2366200	IC50	5.49	5.49	3240.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	210.0	nM	6.68	Antiproliferative activity against human MOLM16 cells assessed as reduction in c...	31747516
SU-DHL-1	IC50	=	3240.0	nM	5.49	Antiproliferative activity against human SUDHL1 cells assessed as reduction in c...	31747516

Literature References

PubMed	DOI	Target Context	# Activities
31747516	10.1021/acs.jmedchem.9b01530	Protein cereblon/STAT3	2
31747516	10.1021/acs.jmedchem.9b01530	Unchecked	1
31747516	10.1021/acs.jmedchem.9b01530	SU-DHL-1	1

Data from ChEMBL 36 via Core Engine