Compound Detail

CHEMBL5896751

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Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Oc3ccnc(Nc4ccccc4Cl)n3)c3ccccc23)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5896751
Phase	Preclinical
Structure Type	MOL
InChI Key	VKENGRJGQSSFDG-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

618.1

MW (Da)

9.25

ALogP

HBA

HBD

106.0

PSA (Å²)

0.16

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 8 meas. best 7.01

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Mitogen-activated protein kinase 14 CHEMBL260	IC50	7.01	6.9	98.0	6
Unchecked CHEMBL612545	IC50	7.01	6.9	98.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	98.0	nM	7.01	p38 MAPKα Enzyme Inhibition: The inhibitory activities of test compounds against...	-
Mitogen-activated protein kinase 14	IC50	=	98.0	nM	7.01	p38 MAPKalpha Enzyme Inhibition: The inhibitory activities of test compounds aga...	-
Mitogen-activated protein kinase 14	IC50	=	98.0	nM	7.01	Enzyme Inhibition Assay: p38 MAPKα: The enzyme inhibitory activities of compound...	-
Mitogen-activated protein kinase 14	IC50	=	98.0	nM	7.01	Enzyme Inhibition: p38 MAPKα: The inhibitory activities of test compounds agains...	-
Unchecked	IC50	=	161.0	nM	6.79	p38 MAPKα Enzyme Inhibition: The inhibitory activities of test compounds against...	-
Mitogen-activated protein kinase 14	IC50	=	161.0	nM	6.79	p38 MAPKalpha Enzyme Inhibition: The inhibitory activities of test compounds aga...	-
Mitogen-activated protein kinase 14	IC50	=	161.0	nM	6.79	Enzyme Inhibition Assay: p38 MAPKα: The enzyme inhibitory activities of compound...	-
Mitogen-activated protein kinase 14	IC50	=	161.0	nM	6.79	Enzyme Inhibition: p38 MAPKα: The inhibitory activities of test compounds agains...	-

Data from ChEMBL 36 via Core Engine