Drug Details

Name:

CHEMBL558512

PubChem ID:

45273505

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C24H18N6O2/c31-23-21(22(24(32)27-23)30-10-7-18-20(30)6-3-8-26-18)17-14-29(13-12-28-11-9-25-15-28)19-5-2-1-4-16(17)19/h1-11,14-15H,12-13H2,(H,27,31,32)

SMILES:

O=C1NC(=O)C(=C1c1cn(c2c1cccc2)CCn1cncc1)n1ccc2c1cccn2

Properties:

Formula:	C24H18N6O2	Atoms:	32
Molecular Weight:	422.439	Rotatable Bonds:	5
H-bond Acceptors:	8	H-bond Donors:	1
logP:	3.2412

Targets:

Name	Uniprot ID	Source	References	Interaction
Dual specificity mitogen-activated protein kinase kinase 1	MP2K1_HUMAN	BindingDB	-	shows
Glycogen synthase kinase-3 beta	GSK3B_HUMAN	BindingDB	-	shows
Inhibitor of nuclear factor kappa-B kinase subunit beta	IKKB_HUMAN	BindingDB	-	shows
Mitogen-activated protein kinase 3	MK03_HUMAN	BindingDB	-	shows
Protein kinase C epsilon type	KPCE_HUMAN	BindingDB	-	shows
Serine/threonine-protein kinase 6	STK6_HUMAN	BindingDB	-	shows

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Synonyms:

CHEBI:667691

CHEMBL558512

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