Details of the Drug

General Information of Drug (ID: DMU9WGT)

• Drug Name: 3-Phenyl-1,2-Propandiol
• Synonyms: 3-phenylpropane-1,2-diol; 17131-14-5; 3-phenyl-1,2-propanediol; AC1L59FY; AC1Q77AE; SCHEMBL25158; 1,2-Propanediol,3-phenyl-; CTK4D3895; NSC4322; DTXSID80277814; NSC-4322; AKOS017514819; DA-09349

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); 152.19
  Logarithm of the Partition Coefficient (xlogp); 0.9
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C9H12O2
  IUPAC Name: (2S)-3-phenylpropane-1,2-diol
  Canonical SMILES: C1=CC=C(C=C1)C[C@@H](CO)O
  InChI: InChI=1S/C9H12O2/c10-7-9(11)6-8-4-2-1-3-5-8/h1-5,9-11H,6-7H2/t9-/m0/s1
  InChIKey: JHWQMXKQJVAWKI-VIFPVBQESA-N
• Cross-matching ID:
  PubChem CID: 446127
  CAS Number: 61475-32-9
  UNII: 6PQ7U3G5W6
  DrugBank ID: DB02803
  TTD ID: D09QXR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Angiotensinogenase renin (REN)	TTB2MXP	RENI_HUMAN	Inhibitor	[1]

References

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