Drug Details

Name:

CHEMBL1086411

PubChem ID:

46881653

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C20H24N6O2/c1-14-23-19(26-25-14)11-20(28)24-17-6-4-15(5-7-17)8-10-22-13-18(27)16-3-2-9-21-12-16/h2-7,9,12,18,22,27H,8,10-11,13H2,1H3,(H,24,28)(H,23,25,26)/t18-/m0/s1

SMILES:

O=C(Cc1n[nH]c(n1)C)Nc1ccc(cc1)CCNC[C@@H](c1cccnc1)O

Properties:

Formula:	C20H24N6O2	Atoms:	28
Molecular Weight:	380.444	Rotatable Bonds:	10
H-bond Acceptors:	7	H-bond Donors:	4
logP:	2.0189

Targets:

Name	Uniprot ID	Source	References	Interaction
Beta-1 adrenergic receptor	ADRB1_HUMAN	BindingDB	-	shows
Beta-3 adrenergic receptor	ADRB3_HUMAN	BindingDB	-	shows

enlarge table

Synonyms:

CHEBI:715870

CHEMBL1086411

enlarge table