Details of the Drug

General Information of Drug (ID: DMKM6BY)

• Drug Name: Cyclopenta[d]pyrimidine derivative 1
• Synonyms: PMID28270010-Compound-Figure28
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 450.5
  Logarithm of the Partition Coefficient (xlogp); 3.8
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C23H27FN8O
  IUPAC Name: N-(6-fluoropyridin-3-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
  Canonical SMILES: CC(C)C1=CC(=NN1)NC2=NC(=NC3=C2CCC3)N4CCCC4C(=O)NC5=CN=C(C=C5)F
  InChI: InChI=1S/C23H27FN8O/c1-13(2)17-11-20(31-30-17)28-21-15-5-3-6-16(15)27-23(29-21)32-10-4-7-18(32)22(33)26-14-8-9-19(24)25-12-14/h8-9,11-13,18H,3-7,10H2,1-2H3,(H,26,33)(H2,27,28,29,30,31)
  InChIKey: GZDATWXVIVEVAM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 76283234
  TTD ID: D0NS6S

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
BDNF/NT-3 growth factors receptor (TrkB)	TTKN7QR	NTRK2_HUMAN	Inhibitor	[1]
NT-3 growth factor receptor (TrkC)	TTXABCW	NTRK3_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
NT-3 growth factor receptor (TrkC)	DTT	NTRK3	7.06E-04	-0.14	-0.43
BDNF/NT-3 growth factors receptor (TrkB)	DTT	NTRK2	3.06E-01	-0.15	-0.31

References

• [1] Tropomyosin receptor kinase inhibitors: an updated patent review for 2010-2016 - Part I.Expert Opin Ther Pat. 2017 Jun;27(6):733-751.