Details of the Drug

General Information of Drug (ID: DMPDF9B)

• Drug Name: US9006244, E2a
• Synonyms: SCHEMBL15272683; CHEMBL3672844; US9006244, E2a
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 469.5
  Logarithm of the Partition Coefficient (xlogp); 2.1
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 10
• Chemical Identifiers:
  Formula: C20H22F3N5O3S
  IUPAC Name: [(1R)-7-methylsulfonyl-1-propan-2-yl-2-[4-(trifluoromethyl)pyrimidin-2-yl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]methanol
  Canonical SMILES: CC(C)[C@@H]1C2=NC3=C(N2CCN1C4=NC=CC(=N4)C(F)(F)F)C=C(C(=C3)CO)S(=O)(=O)C
  InChI: InChI=1S/C20H22F3N5O3S/c1-11(2)17-18-25-13-8-12(10-29)15(32(3,30)31)9-14(13)27(18)6-7-28(17)19-24-5-4-16(26-19)20(21,22)23/h4-5,8-9,11,17,29H,6-7,10H2,1-3H3/t17-/m1/s1
  InChIKey: CABUZECPUSGGRX-QGZVFWFLSA-N
• Cross-matching ID:
  PubChem CID: 71735263
  ChEBI ID: CHEMBL3672844
  TTD ID: D0U2EG
• 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
Oxysterols receptor LXR-alpha (NR1H3)	TTECBXN	NR1H3_HUMAN	Inhibitor	[1]

References

• [1] Liver X receptor modulators. US9006244.