Structure

InChI Key HSXBEUMRBMAVDP-NEOZNVFSSA-N
Smile NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2C[C@H](OC(=O)NCCN)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O
InChI
InChI=1S/C58H66N10O9.C23H16O6/c59-27-13-12-22-46-52(69)64-47(30-38-23-25-42(26-24-38)76-36-39-16-6-2-7-17-39)53(70)66-49(31-37-14-4-1-5-15-37)57(74)68-35-43(77-58(75)61-29-28-60)33-50(68)55(72)67-51(40-18-8-3-9-19-40)56(73)65-48(54(71)63-46)32-41-34-62-45-21-11-10-20-44(41)45;24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-11,14-21,23-26,34,43,46-51,62H,12-13,22,27-33,35-36,59-60H2,(H,61,75)(H,63,71)(H,64,69)(H,65,73)(H,66,70)(H,67,72);1-10,24-25H,11H2,(H,26,27)(H,28,29)/t43-,46-,47-,48+,49-,50-,51-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C81H82N10O15
Molecular Weight 1435.6
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

Action Mechanism of Action Reference
AGONIST Somatostatin receptor 1 agonist PubMed PubMed DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Metabolism and nutrition disorders
18.71
Endocrine disorders
17.35
Investigations
12.37
General disorders and administration site conditions
8.89
Gastrointestinal disorders
6.35
Nervous system disorders
5.67
Musculoskeletal and connective tissue disorders
3.78
Respiratory, thoracic and mediastinal disorders
3.05
Vascular disorders
3.03
Injury, poisoning and procedural complications
2.97
Psychiatric disorders
2.52
Infections and infestations
2.48
Hepatobiliary disorders
2.28
Skin and subcutaneous tissue disorders
2.07

Cross References

Resources Reference
ChEMBL CHEMBL3545188
FDA SRS 04F55A7UZ3
PubChem 11982961