Details of the Drug

General Information of Drug (ID: DM2WKDN)

Drug Name
ADX-2 series
Indication
Disease Entry ICD 11 Status REF
Schizophrenia 6A20 Preclinical [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 391.3
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Chemical Identifiers
Formula
C20H27BrN2O
IUPAC Name
17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene;hydrobromide
Canonical SMILES
CCC1CC2CC3C1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC.Br
InChI
InChI=1S/C20H26N2O.BrH/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19;/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3;1H
InChIKey
NVBHPBGGYJRLTF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9821813
TTD ID
D04MMJ
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
N-methyl-D-aspartate receptor (NMDAR) TT9IK2Z NOUNIPROTAC Antagonist [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 The pipeline and future of drug development in schizophrenia. Mol Psychiatry. 2007 Oct;12(10):904-22.