Compound Detail

CHEMBL5285771

Enter ChEMBL ID:

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

CCOC(=O)C[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5285771
Phase	Preclinical
Structure Type	MOL
InChI Key	DHWKMSSLCDUKCM-QIVOXUEZSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

639.8

MW (Da)

5.74

ALogP

HBA

HBD

92.8

PSA (Å²)

0.24

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 3 meas. best 6.16

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
K562 CHEMBL385	IC50	6.16	6.16	693.0	1
HL-60 CHEMBL383	IC50	6.05	6.05	890.0	1
U-937 CHEMBL612794	IC50	5.98	5.98	1051.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
K562	IC50	=	693.0	nM	6.16	Antiproliferative activity against human K562 cells assessed as inhibition of ce...	36242991
HL-60	IC50	=	890.0	nM	6.05	Antiproliferative activity against human HL-60 cells assessed as inhibition of c...	36242991
U-937	IC50	=	1051.0	nM	5.98	Antiproliferative activity against human U-937 cells assessed as inhibition of c...	36242991

PubMed	DOI	Target Context	# Activities
36242991	10.1016/j.ejmech.2022.114731	K562	1
36242991	10.1016/j.ejmech.2022.114731	HL-60	1
36242991	10.1016/j.ejmech.2022.114731	U-937	1

Data from ChEMBL 36 via Core Engine