ASIMADOLINE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: D0VK52NV5M

Structure
InChI Key JHLHNYVMZCADTC-LOSJGSFVSA-N
Smile CN(C(=O)C(c1ccccc1)c1ccccc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1
InChI
InChI=1S/C27H30N2O2/c1-28(25(21-11-5-2-6-12-21)20-29-18-17-24(30)19-29)27(31)26(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,24-26,30H,17-20H2,1H3/t24-,25+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H30N2O2
Molecular Weight 414.55
AlogP 4.08
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 43.78
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 31.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Kappa opioid receptor agonist PubMed PubMed PubMed 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) Opioid receptor
1 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Irritable Bowel Syndrome 3 D043183 ClinicalTrials
Ileus 2 D045823 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 153205-46-0
ChEMBL CHEMBL1190199
DrugBank DB05104
EPA CompTox DTXSID60165285
FDA SRS D0VK52NV5M
Guide to Pharmacology 9279
PubChem 179340
SureChEMBL SCHEMBL155020
ZINC ZINC000003800054
CONTENTS