Drug Details

Name:

CHEMBL287918

PubChem ID:

44285118

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C44H56BN3O6/c1-5-6-10-25-37(45-53-36-28-33-27-35(43(33,2)3)44(36,4)54-45)46-40(49)34-24-17-26-48(34)41(50)39(47-42(51)52-29-30-18-11-7-12-19-30)38(31-20-13-8-14-21-31)32-22-15-9-16-23-32/h7-9,11-16,18-23,33-39H,5-6,10,17,24-29H2,1-4H3,(H,46,49)(H,47,51)/t33?,34-,35?,36?,37?,39-,44-/m0/s1

SMILES:

CCCCCC(B1O[C@H]2[C@](O1)(C)C1CC(C2)C1(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(c1ccccc1)c1ccccc1)NC(=O)OCc1ccccc1

Properties:

Formula:	C44H56BN3O6	Atoms:	54
Molecular Weight:	733.743	Rotatable Bonds:	18
H-bond Acceptors:	9	H-bond Donors:	2
logP:	8.5767

Targets:

Name	Uniprot ID	Source	References	Interaction
Cathepsin G	CATG_HUMAN	BindingDB	-	shows
Cationic trypsin	TRY1_BOVIN	BindingDB	-	shows
Chymotrypsinogen A	CTRA_BOVIN	BindingDB	-	shows
Coagulation factor X	FA10_HUMAN	BindingDB	-	shows
Plasminogen	PLMN_HUMAN	BindingDB	-	shows
Prothrombin	THRB_HUMAN	BindingDB	-	shows
Urokinase-type plasminogen activator	UROK_HUMAN	BindingDB	-	shows

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Synonyms:

CHEBI:155009

CHEMBL287918

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