Compound Detail

CHEMBL494374

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ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL494374
Phase	Preclinical
Structure Type	MOL
InChI Key	BCOCGECOKJMZPV-PUOYYSPRSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

506.6

MW (Da)

-0.01

ALogP

HBA

HBD

159.8

PSA (Å²)

0.38

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 6.58

EC50 1 meas. best 6.85

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
HL-60 CHEMBL383	EC50	6.85	6.85	140.0	1
HL-60 CHEMBL383	IC50	6.58	6.565	260.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
HL-60	EC50	=	140.0	nM	6.85	Induction of cell differentiation in human HL60 cells assessed as superoxide ani...	11754601
HL-60	IC50	=	260.0	nM	6.58	Antiproliferative activity against human HL60 cells assessed as inhibition of [3...	11754601
HL-60	IC50	=	280.0	nM	6.55	Cytotoxicity against human HL60 cells assessed as loss of membrane integrity aft...	11754601

PubMed	DOI	Target Context	# Activities
11754601	10.1021/np010212p	HL-60	4
11754601	10.1021/np010212p	Unchecked	1
11754601	10.1021/np010212p	ADMET	1

Data from ChEMBL 36 via Core Engine