SOFINICLINE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: SQC232V4YY

Structure
InChI Key MBQYQLWSBRANKQ-IMTBSYHQSA-N
Smile Clc1cc(N2C[C@@H]3CN[C@@H]3C2)cnc1Cl
InChI
InChI=1S/C10H11Cl2N3/c11-8-1-7(3-14-10(8)12)15-4-6-2-13-9(6)5-15/h1,3,6,9,13H,2,4-5H2/t6-,9+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H11Cl2N3
Molecular Weight 244.12
AlogP 1.8
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 28.16
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 15.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Neuronal acetylcholine receptor; alpha4/beta2 agonist PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor alpha subunit
1445-1500 - - - -
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor beta subunit
1445-1500 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neuralgia 2 D009437 ClinicalTrials
Attention Deficit Disorder with Hyperactivity 2 D001289 ClinicalTrials
Diabetic Neuropathies 2 D003929 ClinicalTrials
Diabetic Nephropathies 2 D003928 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL238465
DrugBank DB12527
FDA SRS SQC232V4YY
PubChem 10131048
SureChEMBL SCHEMBL650488
ZINC ZINC000028866069
CONTENTS