ABT-107

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Synonyms
Status
Molecule Category Free-form
UNII SXS38HR98H

Structure

InChI Key LUKNJAQKVPBDSC-SFHVURJKSA-N
Smiles c1cc2cc(-c3ccc(O[C@H]4CN5CCC4CC5)nn3)ccc2[nH]1
InChI
InChI=1S/C19H20N4O/c1-2-16-15(5-8-20-16)11-14(1)17-3-4-19(22-21-17)24-18-12-23-9-6-13(18)7-10-23/h1-5,8,11,13,18,20H,6-7,9-10,12H2/t18-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H20N4O
Molecular Weight 320.4
AlogP 3.1
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 54.04
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 24.0

Pharmacology

Mechanism of Action Action Reference
Neuronal acetylcholine receptor protein alpha-7 subunit agonist AGONIST PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel 5HT3 receptor
- - - - 4
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor alpha subunit
50-50 - - 0.2-7 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
50 - - 0.2-0.22 4
Rattus norvegicus
50 - - 0.2 -

Target Conservation

Protein: Neuronal acetylcholine receptor protein alpha-7 subunit
Description: Neuronal acetylcholine receptor subunit alpha-7
Organism : Homo sapiens
P36544 ENSG00000175344

Cross References

Resources Reference
ChEMBL CHEMBL2151570
FDA SRS SXS38HR98H
SureChEMBL SCHEMBL527745
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