Drug Details

Name:

CHEMBL551517

PubChem ID:

45271610

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C21H22N6O2/c28-21(24-17-13-16(17)14-5-2-1-3-6-14)27-11-7-15(8-12-27)20-25-19(26-29-20)18-22-9-4-10-23-18/h1-6,9-10,15-17H,7-8,11-13H2,(H,24,28)

SMILES:

O=C(N1CCC(CC1)c1onc(n1)c1ncccn1)NC1CC1c1ccccc1

Properties:

Formula:	C21H22N6O2	Atoms:	29
Molecular Weight:	390.438	Rotatable Bonds:	6
H-bond Acceptors:	8	H-bond Donors:	1
logP:	3.3005

Targets:

Name	Uniprot ID	Source	References	Interaction
Cytochrome P450 2D6	CP2D6_HUMAN	BindingDB	-	shows
Cytochrome P450 3A4	CP3A4_HUMAN	BindingDB	-	shows
Epoxide hydrolase 2	HYES_HUMAN	BindingDB	-	shows
Potassium voltage-gated channel subfamily H member 2	KCNH2_HUMAN	BindingDB	-	shows
Sodium channel protein type 5 subunit alpha	SCN5A_HUMAN	BindingDB	-	shows
Voltage-dependent L-type calcium channel subunit alpha-1C	CAC1C_HUMAN	BindingDB	-	shows

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Synonyms:

CHEBI:663910

CHEMBL551517

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