ABT-107

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: SXS38HR98H

Structure
InChI Key LUKNJAQKVPBDSC-SFHVURJKSA-N
Smile 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

Action Mechanism of Action Reference
AGONIST Neuronal acetylcholine receptor protein alpha-7 subunit 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 - - 0-7 -
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor beta subunit
- - - 4000 -

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2151570
FDA SRS SXS38HR98H
SureChEMBL SCHEMBL527745
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