Details of the Drug

General Information of Drug (ID: DMMWYFR)

• Drug Name: 5-Phenylsulfanyl-2,4-Quinazolinediamine
• Synonyms: 5-Phenylsulfanyl-2,4-quinazolinediamine; 5-PHENYLSULFANYL-2,4-QUINAZOLINEDIAMINE; TCMDC-131943; 5-(phenylsulfanyl)quinazoline-2,4-diamine; 5-phenylsulfanylquinazoline-2,4-diamine; TQ3; AC1L9JD6; SCHEMBL2125192; CHEMBL100239; BDBM18045; GW997; ZINC5974663; 5-Phenylthioquinazoline-2,4-diamine; 2,4-Diamino-5-phenylthio-quinazoline; DB04163; 5-Phenylsulfanyl-quinazoline-2,4-diamine

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); 268.34
  Logarithm of the Partition Coefficient (xlogp); 2.9
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C14H12N4S
  IUPAC Name: 5-phenylsulfanylquinazoline-2,4-diamine
  Canonical SMILES: C1=CC=C(C=C1)SC2=CC=CC3=C2C(=NC(=N3)N)N
  InChI: InChI=1S/C14H12N4S/c15-13-12-10(17-14(16)18-13)7-4-8-11(12)19-9-5-2-1-3-6-9/h1-8H,(H4,15,16,17,18)
  InChIKey: BUFDQCGCADQQQY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 446244
  ChEBI ID: CHEMBL100239
  DrugBank ID: DB04163
  TTD ID: D02ZCP
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Polypeptide deformylase (PDF)	TT9SL3Q	DEFM_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
Polypeptide deformylase (PDF)	DTT	PDF	8.87E-16	-0.54	-0.86

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.