Ulimorelin HydrochlorideProduct ingredient for Ulimorelin
- Name
- Ulimorelin Hydrochloride
- Drug Entry
- Ulimorelin
Ulimorelin is a novel small molecule ghrelin agonist being developed by Tranzyme Pharma as a first-in-class treatment for both POI and diabetic gastroparesis, serious medical conditions in which motility of the GI tract is severely impaired.
- Accession Number
- DBSALT002140
- Structure
Structure for Ulimorelin Hydrochloride (DBSALT002140)
- Synonyms
- Not Available
- External IDs
- TZP-101
- UNII
- 662MCS79XH
- CAS Number
- 951326-02-6
- Weight
- Average: 593.14
Monoisotopic: 592.2827763 - Chemical Formula
- C30H42ClFN4O5
- InChI Key
- ZWIXEQBDJMFCMN-DHHNQDMHSA-N
- InChI
- InChI=1S/C30H39FN4O4.ClH.H2O/c1-19-18-33-27(23-12-13-23)30(38)35(3)20(2)28(36)34-25(17-21-10-14-24(31)15-11-21)29(37)32-16-6-8-22-7-4-5-9-26(22)39-19;;/h4-5,7,9-11,14-15,19-20,23,25,27,33H,6,8,12-13,16-18H2,1-3H3,(H,32,37)(H,34,36);1H;1H2/t19-,20-,25-,27+;;/m1../s1
- IUPAC Name
- (2R,5S,8R,11R)-5-cyclopropyl-11-[(4-fluorophenyl)methyl]-2,7,8-trimethyl-3,4,5,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-2H-1,4,7,10,13-benzoxatetrazacyclooctadecine-6,9,12-trione hydrate hydrochloride
- SMILES
- O.Cl.C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)NCCCC2=CC=CC=C2O1
- External Links
- ChemSpider
- 28484357
- ChEMBL
- CHEMBL1923502
- Predicted Properties
Property Value Source Water Solubility 0.00834 mg/mL ALOGPS logP 2.86 ALOGPS logP 3.19 Chemaxon logS -4.8 ALOGPS pKa (Strongest Acidic) 11.14 Chemaxon pKa (Strongest Basic) 6.27 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 99.77 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 146.39 m3·mol-1 Chemaxon Polarizability 58.42 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon