CAMICINAL

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Synonyms
Status
Molecule Category Free-form
UNII 3C8348951H

Structure

InChI Key RZKDEGZIFSJVNA-IBGZPJMESA-N
Smiles C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)CCN1
InChI
InChI=1S/C25H33FN4O/c1-19-17-29(14-11-27-19)18-21-7-5-20(6-8-21)15-25(31)30-12-9-23(10-13-30)28-24-4-2-3-22(26)16-24/h2-8,16,19,23,27-28H,9-15,17-18H2,1H3/t19-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H33FN4O
Molecular Weight 424.56
AlogP 3.27
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 47.61
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 31.0

Pharmacology

Mechanism of Action Action Reference
Motilin 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) Motilin receptor
12.59 - - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
12.59 - - - -

Target Conservation

Protein: Motilin receptor
Description: Motilin receptor
Organism : Homo sapiens
O43193 ENSG00000102539

Cross References

Resources Reference
ChEMBL CHEMBL489095
DrugBank DB12567
FDA SRS 3C8348951H
Guide to Pharmacology 4035
PubChem 15984937
SureChEMBL SCHEMBL1704099
ZINC ZINC000034850365
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