IBUTAMOREN MESYLATE

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Synonyms
Status
Molecule Category Salt-form
UNII R90JB6QJ2B

Structure

InChI Key DUGMCDWNXXFHDE-VZYDHVRKSA-N
Smiles CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12.CS(=O)(=O)O
InChI
InChI=1S/C27H36N4O5S.CH4O3S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27;1-5(2,3)4/h4-12,22H,13-19,28H2,1-3H3,(H,29,33);1H3,(H,2,3,4)/t22-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H40N4O8S2
Molecular Weight 624.78
AlogP 1.77
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 122.04
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 37.0

Pharmacology

Mechanism of Action Action Reference
Ghrelin receptor agonist AGONIST PubMed PubMed

Target Conservation

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

Cross References

Resources Reference
ChEMBL CHEMBL2105872
FDA SRS R90JB6QJ2B
PubChem 6450830
SureChEMBL SCHEMBL4451194
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