Compound Detail

CHEMBL1940227

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COc1ccc(S(=O)(=O)N(Cc2ccc3c(n2)C=CC(C)(C)O3)C2CCC2)cc1OC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1940227
Phase	Preclinical
Structure Type	MOL
InChI Key	CQGIUFASDNXPRB-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

444.6

MW (Da)

4.03

ALogP

HBA

HBD

78.0

PSA (Å²)

0.64

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 6.55

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha CHEMBL2221345	IC50	6.55	6.55	280.0	1
Histone acetyltransferase p300/Hypoxia-inducible factor 1-alpha CHEMBL3885588	IC50	6.55	6.55	280.0	1
Unchecked CHEMBL612545	IC50	6.55	6.55	280.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha	IC50	=	280.0	nM	6.55	Inhibition of HIF1 in human LN229 cells after 1 hr preincubation under hypoxic c...	22032632
Unchecked	IC50	=	280.0	nM	6.55	Inhibition of HIF-1 pathway in human LN229 cells harboring HRE-AP assessed sa re...	28285917
Histone acetyltransferase p300/Hypoxia-inducible factor 1-alpha	IC50	=	280.0	nM	6.55	Inhibition of HIF-1alpha (unknown origin)/p300 (unknown origin) protein-protein ...	30819620

PubMed	DOI	Target Context	# Activities
22032632	10.1021/jm201018g	Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha	2
22032632	10.1021/jm201018g	Unchecked	1
22032632	10.1021/jm201018g	Hypoxia-inducible factor 1-alpha	1
28285917	10.1016/j.bmcl.2017.02.073	Unchecked	1
30819620	10.1016/j.bmc.2019.01.042	Histone acetyltransferase p300/Hypoxia-inducible factor 1-alpha	1

Data from ChEMBL 36 via Core Engine