ULIMORELIN HYDROCHLORIDE

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Synonyms
Status
Molecule Category Salt-form
UNII 662MCS79XH
EPA CompTox DTXSID70241766

Structure

InChI Key ZWIXEQBDJMFCMN-DHHNQDMHSA-N
Smiles C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1.Cl.O
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H42ClFN4O5
Molecular Weight 593.14
AlogP 2.6
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 99.77
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 39.0

Pharmacology

Mechanism of Action Action Reference
Ghrelin receptor agonist AGONIST PubMed
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) GRP-related receptor
29 - - 16 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
29 - - 16 -

Target Conservation

Protein: Ghrelin receptor
Description: Growth hormone secretagogue receptor type 1
Organism : Homo sapiens
Q92847 ENSG00000121853

Cross References

Resources Reference
ChEMBL CHEMBL1923502
FDA SRS 662MCS79XH
PubChem 56841653
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