Drug Details

Name:

CHEMBL367547

PubChem ID:

44385630

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C41H60N10O9/c1-8-22(5)34(39(57)49-32(41(59)60)15-25-18-44-28-13-11-10-12-27(25)28)51-40(58)35(23(6)9-2)50-38(56)31(17-33(42)53)48-36(54)29(14-21(3)4)47-37(55)30(46-24(7)52)16-26-19-43-20-45-26/h10-13,18-23,29-32,34-35,44H,8-9,14-17H2,1-7H3,(H2,42,53)(H,43,45)(H,46,52)(H,47,55)(H,48,54)(H,49,57)(H,50,56)(H,51,58)(H,59,60)/t22?,23?,29-,30-,31-,32-,34-,35-/m0/s1

SMILES:

CCC([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)C(CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1[nH]cnc1)NC(=O)C)CC(C)C)CC(=O)N)C

Properties:

Formula:	C41H60N10O9	Atoms:	60
Molecular Weight:	836.977	Rotatable Bonds:	30
H-bond Acceptors:	17	H-bond Donors:	10
logP:	3.7489

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:392071

CHEMBL367547

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