Details of the Drug

General Information of Drug (ID: DM3D8OK)

• Drug Name: 4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-PHENOL
• Synonyms: AC1NBQIC

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); 210.27
  Logarithm of the Partition Coefficient (xlogp); 0.2
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C11H18N2O2
  IUPAC Name: 4-[(2R,5S)-2,5-diamino-5-hydroxypentyl]phenol
  Canonical SMILES: C1=CC(=CC=C1C[C@@H](CC[C@@H](N)O)N)O
  InChI: InChI=1S/C11H18N2O2/c12-9(3-6-11(13)15)7-8-1-4-10(14)5-2-8/h1-2,4-5,9,11,14-15H,3,6-7,12-13H2/t9-,11+/m1/s1
  InChIKey: VTBBVHAOBBELOH-KOLCDFICSA-N
• Cross-matching ID:
  PubChem CID: 46937065
  DrugBank ID: DB07353
  TTD ID: D0N1HV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Coagulation factor IIa (F2)	TT6L509	THRB_HUMAN	Inhibitor	[1]

References

• [1] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.