Drug Details

Name:

CHEMBL327350

PubChem ID:

44321081

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C49H65N7O8/c1-8-30(5)42(47(61)54-41(49(63)64)27-35-28-50-37-23-17-16-22-36(35)37)56-48(62)43(31(6)9-2)55-46(60)40(26-34-20-14-11-15-21-34)53-44(58)38(24-29(3)4)52-45(59)39(51-32(7)57)25-33-18-12-10-13-19-33/h10-23,28-31,38-43,50H,8-9,24-27H2,1-7H3,(H,51,57)(H,52,59)(H,53,58)(H,54,61)(H,55,60)(H,56,62)(H,63,64)/t30-,31-,38-,39+,40-,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](Cc1ccccc1)NC(=O)C)CC(C)C)Cc1ccccc1)C

Properties:

Formula:	C49H65N7O8	Atoms:	64
Molecular Weight:	880.083	Rotatable Bonds:	30
H-bond Acceptors:	14	H-bond Donors:	8
logP:	6.6928

Targets:

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

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Synonyms:

CHEBI:240470

CHEMBL327350

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