Details of the Drug

General Information of Drug (ID: DMCPV0D)

Drug Name
Thiazole-fused cycloalkyl carboxamide derivative 1
Synonyms PMID27724045-Compound-20
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 337.2
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C16H14Cl2N2O2
IUPAC Name
2-(2,4-dichloro-6-methylphenyl)-N-(2,3-dihydrofuro[2,3-c]pyridin-3-yl)acetamide
Canonical SMILES
CC1=CC(=CC(=C1CC(=O)NC2COC3=C2C=CN=C3)Cl)Cl
InChI
InChI=1S/C16H14Cl2N2O2/c1-9-4-10(17)5-13(18)12(9)6-16(21)20-14-8-22-15-7-19-3-2-11(14)15/h2-5,7,14H,6,8H2,1H3,(H,20,21)
InChIKey
CPLYQTQQYXUOCX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
71239321
ChEBI ID
CHEMBL3954355
TTD ID
D0C9WD
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
P2X purinoceptor 7 (P2RX7) TT473XN P2RX7_HUMAN Antagonist [1]
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Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
P2X purinoceptor 7 (P2RX7) DTT P2RX7 3.17E-01 -0.1 -0.22
P2X purinoceptor 7 (P2RX7) DTT P2RX7 5.97E-02 0.16 0.37
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References

1 P2X7 receptor antagonists: a patent review (2010-2015).Expert Opin Ther Pat. 2017 Mar;27(3):257-267.