Compound Detail

CHEMBL4855824

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

COC(=O)c1cc(O)cc(O[C@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4855824
Phase	Preclinical
Structure Type	MOL
InChI Key	PDAKJKHLAGMLIW-GNLDGFESSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

434.5

MW (Da)

3.77

ALogP

HBA

HBD

92.7

PSA (Å²)

0.57

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 5.77

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
HeLa CHEMBL399	IC50	5.77	5.77	1700.0	1
K562 CHEMBL385	IC50	5.49	5.49	3240.0	1
H322 CHEMBL614573	IC50	5.21	5.21	6220.0	1
HepG2 CHEMBL395	IC50	5.12	5.12	7520.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
HeLa	IC50	=	1700.0	nM	5.77	Anticancer activity against human HeLa cells assessed as inhibition of cell prol...	34399390
K562	IC50	=	3240.0	nM	5.49	Anticancer activity against human K562 cells assessed as inhibition of cell prol...	34399390
H322	IC50	=	6220.0	nM	5.21	Anticancer activity against human H322 cells assessed as inhibition of cell prol...	34399390
HepG2	IC50	=	7520.0	nM	5.12	Anticancer activity against human HepG2 cells assessed as inhibition of cell pro...	34399390

PubMed	DOI	Target Context	# Activities
34399390	10.1016/j.ejmech.2021.113754	HeLa	1
34399390	10.1016/j.ejmech.2021.113754	K562	1
34399390	10.1016/j.ejmech.2021.113754	HepG2	1
34399390	10.1016/j.ejmech.2021.113754	H322	1

Data from ChEMBL 36 via Core Engine