Synonyms:
Status: Phase 2
Entry Type: Protein
Molecule Category: UNKNOWN
UNII: 9VHD7J6363

Structure

InChI Key JXPWLIYXIWGWSA-CLBRJLNISA-N
Smile CC(C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC1=O
InChI
InChI=1S/C40H63N15O13/c1-19(2)31-38(67)51-23(8-11-29(42)58)34(63)53-26(17-56)39(68)55-14-4-6-27(55)37(66)50-24(9-12-30(59)60)33(62)52-25(15-20-16-45-18-47-20)36(65)49-22(7-10-28(41)57)32(61)48-21(35(64)54-31)5-3-13-46-40(43)44/h16,18-19,21-27,31,56H,3-15,17H2,1-2H3,(H2,41,57)(H2,42,58)(H,45,47)(H,48,61)(H,49,65)(H,50,66)(H,51,67)(H,52,62)(H,53,63)(H,54,64)(H,59,60)(H4,43,44,46)/t21-,22-,23-,24-,25-,26-,27-,31-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C40H63N15O13
Molecular Weight 962.04
AlogP -6.34
Hydrogen Bond Acceptor 14.0
Hydrogen Bond Donor 15.0
Number of Rotational Bond 17.0
Polar Surface Area 458.3
Molecular species ZWITTERION
Aromatic Rings 1.0
Heavy Atoms 68.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Prader-Willi Syndrome 2 D011218 ClinicalTrials
Diabetes Mellitus, Type 2 1 D003924 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 1088543-62-7
ChEMBL CHEMBL2029605
DrugBank DB15188
FDA SRS 9VHD7J6363
Guide to Pharmacology 10884
PubChem 57341282