camicinal   Click here for help

GtoPdb Ligand ID: 4035

Synonyms: GSK 962040 | GSK962040
Compound class: Synthetic organic
Comment: Camicinal is a motilin receptor agonist.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 47.61
Molecular weight 424.26
XLogP 3.16
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CC1NCCN(C1)Cc1ccc(cc1)CC(=O)N1CCC(CC1)Nc1cccc(c1)F
Isomeric SMILES C[C@@H]1NCCN(C1)Cc1ccc(cc1)CC(=O)N1CCC(CC1)Nc1cccc(c1)F
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
InChI Key RZKDEGZIFSJVNA-IBGZPJMESA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-[4-[(3-fluorophenyl)amino]piperidin-1-yl]-2-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]ethanone
International Nonproprietary Names Click here for help
INN number INN
9523 camicinal
Synonyms Click here for help
GSK 962040 | GSK962040
Database Links Click here for help
CAS Registry No. 923565-21-3 (source: Scifinder)
ChEMBL Ligand CHEMBL489095
GtoPdb PubChem SID 178100860
PubChem CID 15984937
Search Google for chemical match using the InChIKey RZKDEGZIFSJVNA-IBGZPJMESA-N
Search Google for chemicals with the same backbone RZKDEGZIFSJVNA
Search PubMed clinical trials camicinal
Search PubMed titles camicinal
Search PubMed titles/abstracts camicinal
Search UniChem for chemical match using the InChIKey RZKDEGZIFSJVNA-IBGZPJMESA-N
Search UniChem for chemicals with the same backbone RZKDEGZIFSJVNA