Drug Details

Name:

CHEMBL1288531

PubChem ID:

42633520

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C33H31F4N5O2/c1-19(2)28(30(43)41-26(18-39)16-24-4-3-20(17-38)15-27(24)34)42-29(33(35,36)37)23-7-5-21(6-8-23)22-9-11-25(12-10-22)32(13-14-32)31(40)44/h3-12,15,19,26,28-29,42H,13-14,16H2,1-2H3,(H2,40,44)(H,41,43)/t26-,28-,29-/m0/s1

SMILES:

N#C[C@H](Cc1ccc(cc1F)C#N)NC(=O)[C@H](C(C)C)N[C@H](C(F)(F)F)c1ccc(cc1)c1ccc(cc1)C1(CC1)C(=O)N

Properties:

Formula:	C33H31F4N5O2	Atoms:	44
Molecular Weight:	605.625	Rotatable Bonds:	13
H-bond Acceptors:	7	H-bond Donors:	3
logP:	6.83206

Targets:

Name	Uniprot ID	Source	References	Interaction
Cathepsin B	CATB_HUMAN	BindingDB	-	shows
Cathepsin F	CATF_HUMAN	BindingDB	-	shows
Cathepsin L1	CATL1_HUMAN	BindingDB	-	shows
Cathepsin L2	CATL2_HUMAN	BindingDB	-	shows
Cathepsin S	CATS_HUMAN	BindingDB	-	shows
Cruzipain	CYSP_TRYCR	BindingDB	-	shows

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Synonyms:

CHEBI:814928

CHEMBL1288531

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