Details of the Drug

General Information of Drug (ID: DMD0NFL)

Drug Name
ZM-274773
Synonyms M-274773
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 517.5
Logarithm of the Partition Coefficient (xlogp) 4.8
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C27H34Cl2N4O2
IUPAC Name
N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-(2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]butyl]-N-methylbenzamide
Canonical SMILES
CN(C[C@@H](CCN1CCC(CC1)N2CCCNC2=O)C3=CC(=C(C=C3)Cl)Cl)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C27H34Cl2N4O2/c1-31(26(34)20-6-3-2-4-7-20)19-22(21-8-9-24(28)25(29)18-21)10-15-32-16-11-23(12-17-32)33-14-5-13-30-27(33)35/h2-4,6-9,18,22-23H,5,10-17,19H2,1H3,(H,30,35)/t22-/m1/s1
InChIKey
SCMPVSAUZONHCN-JOCHJYFZSA-N
Cross-matching ID
PubChem CID
9871234
TTD ID
D0KX3C

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Substance-K receptor (TACR2) TTYO0A3 NK2R_HUMAN Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Substance-K receptor (TACR2) DTT TACR2 6.83E-01 -2.22E-03 -0.01
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: 5778).
2 Tachykinin NK2 receptor antagonists. A patent review (2006 - 2010). Expert Opin Ther Pat. 2012 Jan;22(1):57-77.