Drug Details

Name:

CHEMBL433367

PubChem ID:

44327495

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C50H63N7O8/c1-7-28(5)42-48(63)54-38(24-32-26-51-36-20-14-13-17-33(32)36)46(61)57-44(41-34-18-11-9-15-30(34)21-22-31-16-10-12-19-35(31)41)50(65)53-37(23-27(3)4)45(60)52-39(25-40(58)59)47(62)55-43(29(6)8-2)49(64)56-42/h9-20,26-29,37-39,41-44,51H,7-8,21-25H2,1-6H3,(H,52,60)(H,53,65)(H,54,63)(H,55,62)(H,56,64)(H,57,61)(H,58,59)/t28-,29-,37-,38-,39+,42?,43?,44?/m0/s1

SMILES:

CC[C@@H]([C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](NC1=O)Cc1c[nH]c2c1cccc2)C1c2ccccc2CCc2c1cccc2)CC(C)C)[C@H](CC)C)C

Properties:

Formula:	C50H63N7O8	Atoms:	65
Molecular Weight:	890.077	Rotatable Bonds:	11
H-bond Acceptors:	14	H-bond Donors:	8
logP:	6.1493

Targets:

Name	Uniprot ID	Source	References	Interaction
Endothelin B receptor	EDNRB_RAT	BindingDB	-	shows
Endothelin-1 receptor	EDNRA_HUMAN	BindingDB	-	shows

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Synonyms:

CHEBI:254878

CHEMBL433367

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