Drug Details

Name:

CHEMBL319719

PubChem ID:

44328092

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C49H65N7O8/c1-9-29(5)41(46(60)54-39(49(63)64)26-35-27-50-37-24-18-17-23-36(35)37)56-47(61)42(30(6)10-2)55-44(58)31(7)51-45(59)38(25-28(3)4)53-48(62)43(52-32(8)57)40(33-19-13-11-14-20-33)34-21-15-12-16-22-34/h11-24,27-31,38-43,50H,9-10,25-26H2,1-8H3,(H,51,59)(H,52,57)(H,53,62)(H,54,60)(H,55,58)(H,56,61)(H,63,64)/t29-,30-,31-,38-,39-,41-,42-,43-/m0/s1

SMILES:

CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)[C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(c1ccccc1)c1ccccc1)NC(=O)C)CC(C)C)C)C

Properties:

Formula:	C49H65N7O8	Atoms:	64
Molecular Weight:	880.083	Rotatable Bonds:	29
H-bond Acceptors:	14	H-bond Donors:	8
logP:	7.0594

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:256022

CHEMBL319719

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