IBUTAMOREN MESYLATE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: R90JB6QJ2B

Structure
InChI Key DUGMCDWNXXFHDE-VZYDHVRKSA-N
Smile 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

Action Mechanism of Action Reference
AGONIST Ghrelin receptor agonist PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Fibromyalgia 2 D005356 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2105872
FDA SRS R90JB6QJ2B
PubChem 6450830
SureChEMBL SCHEMBL4451194
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