Compound Detail

CHEMBL1407474

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O=C(O)CC(CCc1ccccc1)OC1OC(CO)C(O)C(O)C1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1407474
Phase	Preclinical
Structure Type	MOL
InChI Key	HRYIDVZLDQBLFF-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

356.4

MW (Da)

-0.72

ALogP

HBA

HBD

136.7

PSA (Å²)

0.41

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 6 meas. best 6.21

EC50 3 meas. best 4.24

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	6.21	6.135	620.0	2
Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361	IC50	5.79	5.79	1606.1	1
Eukaryotic translation initiation factor 4H CHEMBL1293274	IC50	4.63	4.63	23645.0	1
Ras and Rab interactor 1/Tyrosine-protein kinase ABL1 CHEMBL3885630	IC50	4.3	4.3	50230.0	1
Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979	EC50	4.24	4.24	57600.0	1
Intestinal-type alkaline phosphatase CHEMBL5573	EC50	4.23	4.23	59200.0	1
Polyadenylate-binding protein 1 CHEMBL1293286	IC50	4.16	4.16	69430.0	1
Alkaline phosphatase, germ cell type CHEMBL3402	EC50	4.14	4.14	73000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	619.99	nM	6.21	PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ...	-
Unchecked	IC50	=	869.51	nM	6.06	PubChem BioAssay. Counterscreen for inhibitors of LEDGF/p75-dependent integratio...	-
Induced myeloid leukemia cell differentiation protein Mcl-1	IC50	=	1606.11	nM	5.79	PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito...	-
Eukaryotic translation initiation factor 4H	IC50	=	23645.0	nM	4.63	PUBCHEM_BIOASSAY: uHTS fluorescence polarization assay for the identification of...	-
Ras and Rab interactor 1/Tyrosine-protein kinase ABL1	IC50	=	50230.0	nM	4.3	PUBCHEM_BIOASSAY: TRFRET-based biochemical high throughput dose response assay f...	-
Alkaline phosphatase, tissue-nonspecific isozyme	EC50	=	57600.0	nM	4.24	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS activators of Mouse Intesti...	-
Intestinal-type alkaline phosphatase	EC50	=	59200.0	nM	4.23	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS activators of Mouse Intesti...	-
Polyadenylate-binding protein 1	IC50	=	69430.0	nM	4.16	PUBCHEM_BIOASSAY: uHTS fluorescence polarization assay for the identification of...	-
Alkaline phosphatase, germ cell type	EC50	=	73000.0	nM	4.14	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS activators of Mouse Intesti...	-

Data from ChEMBL 36 via Core Engine