Details of the Drug

General Information of Drug (ID: DMZLFVG)

• Drug Name: Pyrrolopyrimidine

Indication

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

• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 119.12
  Logarithm of the Partition Coefficient (xlogp); 0.4
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C6H5N3
  IUPAC Name: 5H-pyrrolo[3,2-d]pyrimidine
  Canonical SMILES: C1=CNC2=CN=CN=C21
  InChI: InChI=1S/C6H5N3/c1-2-8-6-3-7-4-9-5(1)6/h1-4,8H
  InChIKey: KDOPAZIWBAHVJB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 577022
  TTD ID: D0KX3H

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Multidrug resistance-associated protein 1 (ABCC1)	TTOI92F	MRP1_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
Multidrug resistance-associated protein 1 (ABCC1)	DTT	ABCC1	1.01E-02	0.89	1.34

References

• [1] Topological model for the prediction of MRP1 inhibitory activity of pyrrolopyrimidines and templates derived from pyrrolopyrimidine. Bioorg Med Chem Lett. 2005 Nov 15;15(22):4967-72.