Details of the Drug

General Information of Drug (ID: DMO9Q8J)

• Drug Name: Pyrrolo-pyrazine derivative 2
• Synonyms: PMID27774822-Compound-Figure6Example1
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 363.4
  Logarithm of the Partition Coefficient (xlogp); 2
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C20H21N5O2
  IUPAC Name: N-tert-butyl-2-[3-(prop-2-enoylamino)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
  Canonical SMILES: CC(C)(C)NC(=O)C1=CNC2=NC=C(N=C12)C3=CC(=CC=C3)NC(=O)C=C
  InChI: InChI=1S/C20H21N5O2/c1-5-16(26)23-13-8-6-7-12(9-13)15-11-22-18-17(24-15)14(10-21-18)19(27)25-20(2,3)4/h5-11H,1H2,2-4H3,(H,21,22)(H,23,26)(H,25,27)
  InChIKey: RGYYZLGXRYSDRO-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 74223673
  TTD ID: D0HL5C

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Janus kinase 3 (JAK-3)	TTT7PJU	JAK3_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Janus kinase 3 (JAK-3)	DTT	JAK3	4.94E-03	0.28	1.41

References

• [1] Inhibitors of JAK-family kinases: an update on the patent literature 2013-2015, part 2.Expert Opin Ther Pat. 2017 Feb;27(2):145-161.