Compound Detail

CHEMBL500033

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ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL500033
Phase	Preclinical
Structure Type	MOL
InChI Key	YYFUPACSPMCQHM-WOFCQTMBSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

536.6

MW (Da)

0.88

ALogP

HBA

HBD

159.8

PSA (Å²)

0.37

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 2 meas. best 7.96

EC50 1 meas. best 7.77

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
HL-60 CHEMBL383	IC50	7.96	7.925	11.0	2
HL-60 CHEMBL383	EC50	7.77	7.77	17.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
HL-60	IC50	=	11.0	nM	7.96	Antiproliferative activity against human HL60 cells assessed as inhibition of [3...	11754601
HL-60	IC50	=	13.0	nM	7.89	Cytotoxicity against human HL60 cells assessed as loss of membrane integrity aft...	11754601
HL-60	EC50	=	17.0	nM	7.77	Induction of cell differentiation in human HL60 cells assessed as superoxide ani...	11754601

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

Data from ChEMBL 36 via Core Engine