Details of the Drug

General Information of Drug (ID: DMPCYV6)

Drug Name

ABT-107

Synonyms

Alpha 7 NNR (CNS diseases, schizophrenia, ADHD), Abbott; Alpha 7 NNR (CNS diseases, schizophrenia, ADHD), NeuroSearch; Alpha 7 neuronal nicotinic receptors (central nervous system diseases, schizophrenia, ADHD), Abbott; Alpha 7 neuronal nicotinic receptors (central nervous system diseases, schizophrenia, ADHD), NeuroSearch; NAChR alpha 7 (CNS diseases, schizophrenia, ADHD), Abbott; NAChR alpha 7 (CNS diseases, schizophrenia, ADHD), NeuroSearch; Nicotinic acetylcholine receptor alpha 7 (central nervous system diseases, schizophrenia, ADHD), Abbott; Nicotinic acetylcholine receptor alpha 7 (central nervous system diseases, schizophrenia, ADHD), NeuroSearch

Indication

Disease Entry	ICD 11	Status	REF
Attention deficit hyperactivity disorder	6A05.Z	Discontinued in Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

320.4

Logarithm of the Partition Coefficient (xlogp)

2.6

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C19H20N4O
IUPAC Name: 5-[6-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyridazin-3-yl]-1H-indole
Canonical SMILES: C1CN2CCC1[C@H](C2)OC3=NN=C(C=C3)C4=CC5=C(C=C4)NC=C5
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
InChIKey: LUKNJAQKVPBDSC-SFHVURJKSA-N

Cross-matching ID

PubChem CID: 11151363
CAS Number: 855291-54-2
TTD ID: D0Z0LJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Neuronal acetylcholine receptor alpha-7 (CHRNA7)	TTLA931	ACHA7_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800026401)
2	In vitro pharmacological characterization of a novel selective alpha7 neuronal nicotinic acetylcholine receptor agonist ABT-107. J Pharmacol Exp Ther. 2010 Sep 1;334(3):863-74.