Details of the Drug

General Information of Drug (ID: DMFZMA2)

Drug Name
VER-156084
Synonyms VER-156084; CHEMBL555563; BDBM50296484
Indication
Disease Entry ICD 11 Status REF
Neuropathic pain 8E43.0 Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 420.3
Logarithm of the Partition Coefficient (xlogp) 4
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C21H23Cl2N3O2
IUPAC Name
[3-[(S)-(4-chlorophenyl)-(2-chloropyridin-3-yl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone
Canonical SMILES
C1CCN(CC1)C(=O)N2CC(C2)O[C@@H](C3=CC=C(C=C3)Cl)C4=C(N=CC=C4)Cl
InChI
InChI=1S/C21H23Cl2N3O2/c22-16-8-6-15(7-9-16)19(18-5-4-10-24-20(18)23)28-17-13-26(14-17)21(27)25-11-2-1-3-12-25/h4-10,17,19H,1-3,11-14H2/t19-/m0/s1
InChIKey
QEKKZTBXSULKCC-IBGZPJMESA-N
Cross-matching ID
PubChem CID
44243144
TTD ID
D0PC5A

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cannabinoid receptor 1 (CB1) TT6OEDT CNR1_HUMAN Inhibitor [1]
Cannabinoid receptor 2 (CB2) TTMSFAW CNR2_HUMAN Inhibitor [1]
Fatty acid amide hydrolase (FAAH) TTDP1UC NOUNIPROTAC Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Neuropathic pain
ICD Disease Classification 8E43.0
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Cannabinoid receptor 1 (CB1) DTT CNR1 5.59E-02 -0.22 -0.45
Cannabinoid receptor 1 (CB1) DTT CNR1 7.68E-01 -0.06 -0.46
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Fatty acid amide hydrolase inhibitors. Surprising selectivity of chiral azetidine ureas. Bioorg Med Chem Lett. 2009 Aug 1;19(15):4241-4.