Compound Detail

CHEMBL4088627

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CN1C(=O)[C@@H](NC(=O)c2ncc(Cc3ccccc3)s2)COc2ccccc21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4088627
Phase	Preclinical
Structure Type	MOL
InChI Key	ULDZVSQOTVSBOS-INIZCTEOSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

393.5

MW (Da)

2.89

ALogP

HBA

HBD

71.5

PSA (Å²)

0.74

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.3

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Receptor-interacting serine/threonine-protein kinase 1 CHEMBL5464	IC50	6.3	6.225	500.0	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Receptor-interacting serine/threonine-protein kinase 1	IC50	=	500.0	nM	6.3	Fluorescent Polarization Binding (FP Binding) assay: Assay was performed in poly...	-
Receptor-interacting serine/threonine-protein kinase 1	IC50	=	500.0	nM	6.3	Fluorescent Polarization Binding (FP Binding) assay: Test compounds were diluted...	-
Receptor-interacting serine/threonine-protein kinase 1	IC50	=	631.0	nM	6.2	Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-...	28151659
Receptor-interacting serine/threonine-protein kinase 1	IC50	=	794.0	nM	6.1	Inhibition of RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph...	28151659

PubMed	DOI	Target Context	# Activities
28151659	10.1021/acs.jmedchem.6b01751	Receptor-interacting serine/threonine-protein kinase 1	2
28151659	10.1021/acs.jmedchem.6b01751	No relevant target	1

Data from ChEMBL 36 via Core Engine