Drug Details

Name:

CHEMBL42899

PubChem ID:

44289336

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C36H56N8O6/c37-32(38)28-7-9-29(10-8-28)33(45)41-25-27-14-19-43(20-15-27)35(47)49-30-3-1-5-31(6-2-4-30)50-36(48)44-23-21-42(22-24-44)34(46)40-18-13-26-11-16-39-17-12-26/h7-10,26-27,30-31,39H,1-6,11-25H2,(H3,37,38)(H,40,46)(H,41,45)

SMILES:

O=C(N1CCC(CC1)CNC(=O)c1ccc(cc1)C(=N)N)OC1CCCC(CCC1)OC(=O)N1CCN(CC1)C(=O)NCCC1CCNCC1

Properties:

Formula:	C36H56N8O6	Atoms:	50
Molecular Weight:	696.88	Rotatable Bonds:	16
H-bond Acceptors:	14	H-bond Donors:	5
logP:	5.2183

Targets:

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

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Synonyms:

CHEBI:163861

CHEMBL42899

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