Details of the Drug

General Information of Drug (ID: DMSCV02)

Drug Name
[N-methyl-3H(3)]AZ-10419369
Synonyms AR-A2; AZ-01134; AZ-10419369; AZ-12320927; AZ-12333053; AZ-12426308; AZ-12426792; AZD-8129; M-519351; M-549715; M-555601; AR-A-000002; AR-A2 analogs, AstraZeneca
Indication
Disease Entry ICD 11 Status REF
Mood disorder 6A60-6E23 Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 468.6
Logarithm of the Partition Coefficient (xlogp) 2.6
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C26H30N4O4
IUPAC Name
5-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-8-[4-(tritritiomethyl)piperazin-1-yl]chromene-2-carboxamide
Canonical SMILES
[3H]C([3H])([3H])N1CCN(CC1)C2=C3C(=C(C=C2)C)C(=O)C=C(O3)C(=O)NC4=CC=C(C=C4)N5CCOCC5
InChI
InChI=1S/C26H30N4O4/c1-18-3-8-21(30-11-9-28(2)10-12-30)25-24(18)22(31)17-23(34-25)26(32)27-19-4-6-20(7-5-19)29-13-15-33-16-14-29/h3-8,17H,9-16H2,1-2H3,(H,27,32)/i2T3
InChIKey
JKPWOPNZKYPRPZ-BHTRQJOGSA-N
Cross-matching ID
PubChem CID
25067576
TTD ID
D0C1ZO
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
5-HT 1B receptor (HTR1B) TTK8CXU 5HT1B_HUMAN Antagonist [2]
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Molecular Expression Atlas of This Drug

The Studied Disease Mood disorder
ICD Disease Classification 6A60-6E23
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
5-HT 1B receptor (HTR1B) DTT HTR1B 3.68E-03 0.16 0.92
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3219).
2 5-HT1B and other related serotonergic proteins are altered in APPswe mutation. Neurosci Lett. 2015 May 6;594:137-43.