Compound Detail

CHEMBL416169

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Fc1ccc(-c2[nH]c(-c3ccccc3)nc2-c2ccncc2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL416169
Phase	Preclinical
Structure Type	MOL
InChI Key	AZBHFSLUTGHEPH-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

315.4

MW (Da)

4.94

ALogP

HBA

HBD

41.6

PSA (Å²)

0.58

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.89

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glucagon receptor CHEMBL1985	IC50	6.89	6.89	130.0	1
MAP kinase p38 CHEMBL2094115	IC50	6.89	6.89	130.0	1
Mitogen-activated protein kinase 14 CHEMBL260	IC50	6.81	6.81	154.0	1
Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215	IC50	6.52	6.52	300.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
MAP kinase p38	IC50	=	130.0	nM	6.89	Binding affinity towards human Mitogen-activated protein kinase p38 expressed as...	11549467
Glucagon receptor	IC50	=	130.02	nM	6.89	Inhibition of human glucagon receptor expressed in CHO cell membranes by radioli...	-
Mitogen-activated protein kinase 14	IC50	=	154.0	nM	6.81	Inhibition of p38alpha MAPK	22951114
Polyunsaturated fatty acid 5-lipoxygenase	IC50	=	300.0	nM	6.52	Inhibitory activity against interleukin-1 (IL-1) synthesis, using intact human m...	-

PubMed	DOI	Target Context	# Activities
-	10.1016/0960-894X(95)00189-Z	Polyunsaturated fatty acid 5-lipoxygenase	2
22951114	10.1021/jm300852w	Mitogen-activated protein kinase 14	2
11549467	10.1016/s0960-894x(01)00498-x	Glucagon receptor	1
11549467	10.1016/s0960-894x(01)00498-x	MAP kinase p38	1
-	10.1007/s00044-013-0869-9	Glucagon receptor	1

Data from ChEMBL 36 via Core Engine