Details of the Drug

General Information of Drug (ID: DMNLVRS)

• Drug Name: RWJ-68354
• Synonyms: RWJ-68354; CHEMBL115769; 2-(4-FLUOROPHENYL)-4-METHOXY-3-(PYRIDIN-4-YL)-1H-PYRROLO[2,3-B]PYRIDIN-6-AMINE; rwj68354; SCHEMBL149547; BDBM15457; BDBM50215267; AKOS000280165

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 334.3
  Logarithm of the Partition Coefficient (xlogp); 3.3
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C19H15FN4O
  IUPAC Name: 2-(4-fluorophenyl)-4-methoxy-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
  Canonical SMILES: COC1=CC(=NC2=C1C(=C(N2)C3=CC=C(C=C3)F)C4=CC=NC=C4)N
  InChI: InChI=1S/C19H15FN4O/c1-25-14-10-15(21)23-19-17(14)16(11-6-8-22-9-7-11)18(24-19)12-2-4-13(20)5-3-12/h2-10H,1H3,(H3,21,23,24)
  InChIKey: ADQZGIYHFQQPRB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9819053
  TTD ID: D06NUL

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
MAP kinase p38 (MAPK12)	TTYT93M	MK12_HUMAN	Inhibitor	[1]
Stress-activated protein kinase 2a (p38 alpha)	TTQBR95	MK14_HUMAN	Inhibitor	[1]
Stress-activated protein kinase 2b (p38 beta)	TT73U6C	MK11_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Stress-activated protein kinase 2a (p38 alpha)	DTT	MAPK14	7.98E-04	1.33	2.48

References

• [1] Imidazopyrimidines, potent inhibitors of p38 MAP kinase. Bioorg Med Chem Lett. 2003 Feb 10;13(3):347-50.