Details of the Drug

General Information of Drug (ID: DMKFV67)

• Drug Name: Aromatic bicyclic compound 2
• Synonyms: PMID26394986-Compound-35
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 636.1
  Topological Polar Surface Area (xlogp); 5.4
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 10
• Chemical Identifiers:
  Formula: C32H29ClF3N7O2
  IUPAC Name: N-[4-chloro-3-[2-[4-(4-methylpiperazin-1-yl)anilino]-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
  Canonical SMILES: CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)CCN(C4=O)C5=C(C=CC(=C5)NC(=O)C6=CC(=CC=C6)C(F)(F)F)Cl
  InChI: InChI=1S/C32H29ClF3N7O2/c1-41-13-15-42(16-14-41)24-8-5-22(6-9-24)39-31-37-19-25-27(40-31)11-12-43(30(25)45)28-18-23(7-10-26(28)33)38-29(44)20-3-2-4-21(17-20)32(34,35)36/h2-10,17-19H,11-16H2,1H3,(H,38,44)(H,37,39,40)
  InChIKey: SGLDXZLAQLSXFP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 53372213
  TTD ID: D0VI7E

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Janus kinase 2 (JAK-2)	TTRMX3V	JAK2_HUMAN	Inhibitor	[1]
Proto-oncogene c-Src (SRC)	TT6PKBN	SRC_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Janus kinase 2 (JAK-2)	DTT	JAK2	9.53E-04	0.27	1.44
Proto-oncogene c-Src (SRC)	DTT	SRC	7.46E-03	-0.2	-1.24

References

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• [14] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [15] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
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• [17] Clinical pipeline report, company report or official report of Turning Point Therapeutics.