Details of the Drug

General Information of Drug (ID: DMICW7D)

Drug Name
AZD-3161
Indication
Disease Entry ICD 11 Status REF
Peripheral neuropathy 8C0Z Phase 1 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 474.4
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 10
Chemical Identifiers
Formula
C23H21F3N4O4
IUPAC Name
N-[(3S)-5-(5-methoxypyrazin-2-yl)-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide
Canonical SMILES
COC1=NC=C(N=C1)C2=C3C[C@@H](COC3=CC=C2)NC(=O)C4=CN=C(C=C4)COCC(F)(F)F
InChI
InChI=1S/C23H21F3N4O4/c1-32-21-10-28-19(9-29-21)17-3-2-4-20-18(17)7-16(12-34-20)30-22(31)14-5-6-15(27-8-14)11-33-13-23(24,25)26/h2-6,8-10,16H,7,11-13H2,1H3,(H,30,31)/t16-/m0/s1
InChIKey
LRHQXIQLHVPUNA-INIZCTEOSA-N
Cross-matching ID
PubChem CID
56945146
ChEBI ID
CHEMBL2069427
CAS Number
1369501-46-1
TTD ID
D0P5CM
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Sodium channel unspecific (NaC) TTRK8B9 NOUNIPROTAC 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 800033244)
2 Recent progress in sodium channel modulators for pain.Bioorganic & Medicinal Chemistry Letters Volume 24, Issue 16, 15 August 2014, Pages 3690-3699.