Details of the Drug

General Information of Drug (ID: DM69HL5)

Drug Name
Bicyclic heteroaryl amide derivative 2
Synonyms PMID27724045-Compound-24
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 426.5
Logarithm of the Partition Coefficient (xlogp) 5
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C24H31FN4O2
IUPAC Name
N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-2-(4-fluoropiperidine-1-carbonyl)imidazo[1,2-a]pyridine-5-carboxamide
Canonical SMILES
CC1([C@H]2CC[C@H]([C@@H]1C2)CNC(=O)C3=CC=CC4=NC(=CN43)C(=O)N5CCC(CC5)F)C
InChI
InChI=1S/C24H31FN4O2/c1-24(2)16-7-6-15(18(24)12-16)13-26-22(30)20-4-3-5-21-27-19(14-29(20)21)23(31)28-10-8-17(25)9-11-28/h3-5,14-18H,6-13H2,1-2H3,(H,26,30)/t15-,16-,18-/m0/s1
InChIKey
AOWWKPWFEIOIDV-BQFCYCMXSA-N
Cross-matching ID
PubChem CID
89521474
TTD ID
D08OKB

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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