Drug Details

Name:

CHEMBL415238

PubChem ID:

44327348

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C62H73N7O10/c1-7-38(5)53(59(75)66-49(62(78)79)34-44-36-63-46-32-22-21-31-45(44)46)68-60(76)54(39(6)8-2)67-57(73)48(35-50(70)71)64-56(72)47(33-37(3)4)65-61(77)55(51(40-23-13-9-14-24-40)41-25-15-10-16-26-41)69-58(74)52(42-27-17-11-18-28-42)43-29-19-12-20-30-43/h9-32,36-39,47-49,51-55,63H,7-8,33-35H2,1-6H3,(H,64,72)(H,65,77)(H,66,75)(H,67,73)(H,68,76)(H,69,74)(H,70,71)(H,78,79)/t38-,39-,47-,48-,49-,53-,54-,55-/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(c1ccccc1)c1ccccc1)CC(C)C)CC(=O)O)C

Properties:

Formula:	C62H73N7O10	Atoms:	79
Molecular Weight:	1076.28	Rotatable Bonds:	34
H-bond Acceptors:	16	H-bond Donors:	9
logP:	9.3264

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:254522

CHEMBL415238

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