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]
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
ChEBI ID
CHEMBL2151570
CAS Number
855291-54-2
TTD ID
D0Z0LJ
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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]
Molecular Interaction Atlas (MIA) 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.