Drug Details

Name:

CHEMBL415823

PubChem ID:

44270254

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C49H65N11O10S2/c1-3-34-44(65)59-40(49(70)60-41(27(2)61)42(52)63)26-72-71-25-39(58-43(64)33(51)21-28-11-5-4-6-12-28)48(69)56-37(22-29-16-18-31(62)19-17-29)46(67)57-38(23-30-24-53-35-14-8-7-13-32(30)35)47(68)55-36(45(66)54-34)15-9-10-20-50/h4-8,11-14,16-19,24,27,33-34,36-41,53,61-62H,3,9-10,15,20-23,25-26,50-51H2,1-2H3,(H2,52,63)(H,54,66)(H,55,68)(H,56,69)(H,57,67)(H,58,64)(H,59,65)(H,60,70)/t27?,33-,34+,36-,37-,38+,39-,40+,41+/m1/s1

SMILES:

NCCCC[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccc(cc2)O)NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@@H](NC1=O)CC)C(=O)N[C@H](C(=O)N)C(O)C)NC(=O)[C@@H](Cc1ccccc1)N)Cc1c[nH]c2c1cccc2

Properties:

Formula:	C49H65N11O10S2	Atoms:	72
Molecular Weight:	1032.24	Rotatable Bonds:	19
H-bond Acceptors:	22	H-bond Donors:	13
logP:	3.9491

Targets:

Name	Uniprot ID	Source	References	Interaction
Somatostatin receptor type 1	SSR1_HUMAN	BindingDB	-	shows
Somatostatin receptor type 2	SSR2_HUMAN	BindingDB	-	shows
Somatostatin receptor type 5	SSR5_HUMAN	BindingDB	-	shows

enlarge table

Synonyms:

CHEBI:116049

CHEMBL415823

enlarge table