Drug Details

Name:

CHEMBL314239

PubChem ID:

44320780

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C44H62N8O10/c1-6-26(4)38(43(60)51-36(44(61)62)22-29-24-46-31-17-11-10-16-30(29)31)52-39(56)32(18-12-13-19-45)48-42(59)35(23-37(54)55)50-40(57)33(20-25(2)3)49-41(58)34(47-27(5)53)21-28-14-8-7-9-15-28/h7-11,14-17,24-26,32-36,38,46H,6,12-13,18-23,45H2,1-5H3,(H,47,53)(H,48,59)(H,49,58)(H,50,57)(H,51,60)(H,52,56)(H,54,55)(H,61,62)/t26-,32-,33-,34+,35-,36-,38-/m0/s1

SMILES:

NCCCC[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)CC(=O)O

Properties:

Formula:	C44H62N8O10	Atoms:	62
Molecular Weight:	863.011	Rotatable Bonds:	32
H-bond Acceptors:	17	H-bond Donors:	10
logP:	4.708

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:239898

CHEMBL314239

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