SOMATOSTATIN

Search structure
Synonyms:
Status: Approved
Entry Type: Protein
Molecule Category: UNKNOWN
ATC: H01CB01
UNII: 6E20216Q0L

Structure
InChI Key NHXLMOGPVYXJNR-ATOGVRKGSA-N
Smile C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O
InChI
InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C76H104N18O19S2
Molecular Weight 1637.91
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- 2000 - - -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Somatostatin receptor
0-0 0-10 - 0-120 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pancreatitis 3 D010195 ClinicalTrials
Carcinoma, Hepatocellular 3 D006528 ClinicalTrials
Hypertension, Portal 3 D006975 ClinicalTrials
Gallbladder Neoplasms 3 D005706 ClinicalTrials
Neuroendocrine Tumors 3 D018358 ClinicalTrials
Acromegaly 3 D000172 ClinicalTrials
Polycystic Kidney, Autosomal Dominant 3 D016891 ClinicalTrials
Liver Failure 3 D017093 ClinicalTrials
Carcinoid Tumor 2 D002276 ClinicalTrials
Peptic Ulcer 2 D010437 ClinicalTrials
Diabetes Mellitus, Type 1 2 D003922 ClinicalTrials
Hypoglycemia 1 D007003 ClinicalTrials
Prostatic Neoplasms 1 D011471 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 38916-34-6
ChEBI 64628
ChEMBL CHEMBL1823872
DrugBank DB09099
DrugCentral 2997
FDA SRS 6E20216Q0L
PubChem 16129706
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