LANREOTIDE

Search structure
Synonyms:
Status: Approved (2007)
Entry Type: Protein
Molecule Category: Parent
ATC: H01CB03
UNII: 0G3DE8943Y

Structure
InChI Key PUDHBTGHUJUUFI-SCTWWAJVSA-N
Smile CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O
InChI
InChI=1S/C54H69N11O10S2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)/t30-,38-,40+,41+,42-,43+,44+,45+,46+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C54H69N11O10S2
Molecular Weight 1096.35
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

Primary Target
SST2 receptor
SST5 receptor
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) Somatostatin receptor
- - - 1 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 3 D009369 ClinicalTrials
Acromegaly 3 D000172 ClinicalTrials
Malignant Carcinoid Syndrome 3 D008303 ClinicalTrials
Carcinoid Tumor 3 D002276 ClinicalTrials
Endocrine Gland Neoplasms 3 D004701 ClinicalTrials
Polycystic Kidney, Autosomal Dominant 3 D016891 ClinicalTrials
Carcinoid Heart Disease 3 D002275 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 3 D064129 ClinicalTrials
Carcinoid Tumor 3 D002276 ClinicalTrials
Rectal Neoplasms 3 D012004 ClinicalTrials
Pituitary Neoplasms 3 D010911 ClinicalTrials
Graves Ophthalmopathy 2 D049970 ClinicalTrials
Hyperglycemia 2 D006943 ClinicalTrials
Esophagitis, Peptic 2 D004942 ClinicalTrials
Intestinal Diseases 2 D007410 ClinicalTrials
Diarrhea 2 D003967 ClinicalTrials
Carcinoma, Merkel Cell 2 D015266 ClinicalTrials
Carcinoma, Hepatocellular 2 D006528 ClinicalTrials
Intestinal Obstruction 2 D007415 ClinicalTrials
Dumping Syndrome 2 D004377 ClinicalTrials
Neuroendocrine Tumors 0 D018358 ClinicalTrials

Related Entries

Scaffolds

UNKNOWN

Cross References

Resources Reference
CAS NUMBER 108736-35-2
ChEMBL CHEMBL1201185
EPA CompTox DTXSID60897514
FDA SRS 0G3DE8943Y
Guide to Pharmacology 2031
PubChem 6918011
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