Compound Detail

CHEMBL2376905

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O=C(NCCN1CCOCC1)c1cccc(-n2ncc3cc(Nc4ccccc4)cnc32)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2376905
Phase	Preclinical
Structure Type	MOL
InChI Key	LYMRGNVCFWWSAT-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

442.5

MW (Da)

3.23

ALogP

HBA

HBD

84.3

PSA (Å²)

0.46

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 6.85

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
MAP kinase p38 CHEMBL2094115	IC50	6.85	6.85	140.0	1
Mitogen-activated protein kinase 10 CHEMBL2637	IC50	6.77	6.77	170.0	1
Mitogen-activated protein kinase 8 CHEMBL2276	IC50	5.92	5.92	1200.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
MAP kinase p38	IC50	=	140.0	nM	6.85	Inhibition of MAPK p38 (unknown origin)-mediated ATF2 Thr71 phosphorylation by H...	23518277
Mitogen-activated protein kinase 10	IC50	=	170.0	nM	6.77	Inhibition of JNK3 (unknown origin)-mediated ATF2 Thr71 phosphorylation by HTRF ...	23518277
Mitogen-activated protein kinase 8	IC50	=	1200.0	nM	5.92	Inhibition of JNK1 (unknown origin)-mediated ATF2 Thr71 phosphorylation by HTRF ...	23518277

PubMed	DOI	Target Context	# Activities
23518277	10.1016/j.bmcl.2013.02.082	Unchecked	1
23518277	10.1016/j.bmcl.2013.02.082	Mitogen-activated protein kinase 8	1
23518277	10.1016/j.bmcl.2013.02.082	Mitogen-activated protein kinase 10	1
23518277	10.1016/j.bmcl.2013.02.082	MAP kinase p38	1

Data from ChEMBL 36 via Core Engine