Compound Detail

CHEMBL4546160

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Cc1nnc2n1Cc1sc(C#Cc3cnn(CCCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c3)c(Cc3ccccc3)c1OC2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4546160
Phase	Preclinical
Structure Type	MOL
InChI Key	CHKQAJSLHRGWNU-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

728.8

MW (Da)

4.46

ALogP

HBA

HBD

153.3

PSA (Å²)

0.12

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 10.7

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
RS4-11 CHEMBL2366159	IC50	10.7	10.7	0.0	1
MV4-11 CHEMBL613835	IC50	10.04	10.04	0.1	1
MOLM-13 CHEMBL3706572	IC50	9.72	9.72	0.2	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
RS4-11	IC50	=	0.02	nM	10.7	Growth inhibition of human RS4:11 cells after 96 hrs by CCK8 assay	30019901
MV4-11	IC50	=	0.092	nM	10.04	Growth inhibition of human MV4-11 cells after 96 hrs by CCK8 assay	30019901
MOLM-13	IC50	=	0.19	nM	9.72	Growth inhibition of human MOLM13 cells after 96 hrs by CCK8 assay	30019901

PubMed	DOI	Target Context	# Activities
30019901	10.1021/acs.jmedchem.8b00506	RS4-11	2
30019901	10.1021/acs.jmedchem.8b00506	MV4-11	1
30019901	10.1021/acs.jmedchem.8b00506	MOLM-13	1
30019901	10.1021/acs.jmedchem.8b00506	Protein cereblon/Cullin-4A/Bromodomain-containing protein 2	1
30019901	10.1021/acs.jmedchem.8b00506	Protein cereblon/Cullin-4A/Bromodomain-containing protein 3	1
30019901	10.1021/acs.jmedchem.8b00506	Protein cereblon/Cullin-4A/Bromodomain-containing protein 4	1
30019901	10.1021/acs.jmedchem.8b00506	Unchecked	1

Data from ChEMBL 36 via Core Engine