Drug Details

Name:

CHEMBL46809

PubChem ID:

9875345

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C36H52N12O6/c37-31(38)43-27-11-7-25(8-12-27)23-41-33(49)45-15-19-47(20-16-45)35(51)53-29-3-1-4-30(6-2-5-29)54-36(52)48-21-17-46(18-22-48)34(50)42-24-26-9-13-28(14-10-26)44-32(39)40/h7-14,29-30H,1-6,15-24H2,(H,41,49)(H,42,50)(H4,37,38,43)(H4,39,40,44)

SMILES:

O=C(N1CCN(CC1)C(=O)NCc1ccc(cc1)N=C(N)N)OC1CCCC(CCC1)OC(=O)N1CCN(CC1)C(=O)NCc1ccc(cc1)N=C(N)N

Properties:

Formula:	C36H52N12O6	Atoms:	54
Molecular Weight:	748.875	Rotatable Bonds:	16
H-bond Acceptors:	18	H-bond Donors:	6
logP:	5.5502

Targets:

Name	Uniprot ID	Source	References	Interaction
Plasminogen	PLMN_HUMAN	BindingDB	-	shows
Prothrombin	THRB_HUMAN	BindingDB	-	shows
Trypsin-1	TRY1_HUMAN	BindingDB	-	shows
Tryptase beta-2	TRYB2_HUMAN	BindingDB	-	shows

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Synonyms:

CHEBI:163956

CHEMBL46809

CID 9875345

CID9875345

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