SENS-111   Click here for help

GtoPdb Ligand ID: 11072

Compound class: Synthetic organic
Comment: SENS-111 (Seliforant) is an orally available small molecule histamine type 4 receptor antagonist, displaying an inhibitory effect on vestibular neuron activity.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 67.07
Molecular weight 235.18
XLogP 1.78
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CNC1CN(C1)c1cc(N)nc(n1)CC(C)C
Isomeric SMILES CNC1CN(C1)c1cc(N)nc(n1)CC(C)C
InChI InChI=1S/C12H21N5/c1-8(2)4-11-15-10(13)5-12(16-11)17-6-9(7-17)14-3/h5,8-9,14H,4,6-7H2,1-3H3,(H2,13,15,16)
InChI Key QRBVUFXEMHNIDB-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6-[3-(methylamino)azetidin-1-yl]-2-(2-methylpropyl)pyrimidin-4-amine
International Nonproprietary Names Click here for help
INN number INN
10575 seliforant
Database Links Click here for help
CAS Registry No. 1164115-89-2
GtoPdb PubChem SID 434122133
PubChem CID 44126305
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