Details of the Drug

General Information of Drug (ID: DM9EWN8)

• Drug Name: 1-Hydroxy-2-Amino-3-Cyclohexylpropane
• Synonyms: (S)-2-Amino-3-cyclohexylpropan-1-ol; 131288-67-0; (S)-2-Amino-3-cyclohexyl-propan-1-ol; 1-Hydroxy-2-Amino-3-Cyclohexylpropane; CHEMBL1231778; (S)-2-AMINO-3-CYCLOHEXYL-1-PROPANOL; (2S)-2-Amino-3-Cyclohexylpropan-1-Ol Hydrochloride; 205445-49-4; (2S)-2-amino-3-cyclohexylpropan-1-ol; AC1L9GJG; AC1Q4UB7; SCHEMBL82667; S-2-Amino-3-cyclohexylpropanol; KS-00000LNV; QWDRYURVUDZKSG-VIFPVBQESA-N; MolPort-000-000-987; ZINC154757; ZX-CM013052; (S)-cyclohexylalaninol, AldrichCPR; BDBM50367060; FCH835925; AKOS022180681; MB00862; DB04387

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); 157.25
  Logarithm of the Partition Coefficient (xlogp); 1.9
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C9H19NO
  IUPAC Name: (2S)-2-amino-3-cyclohexylpropan-1-ol
  Canonical SMILES: C1CCC(CC1)C[C@@H](CO)N
  InChI: InChI=1S/C9H19NO/c10-9(7-11)6-8-4-2-1-3-5-8/h8-9,11H,1-7,10H2/t9-/m0/s1
  InChIKey: QWDRYURVUDZKSG-VIFPVBQESA-N
• Cross-matching ID:
  PubChem CID: 444569
  CAS Number: 205445-49-4
  DrugBank ID: DB04387
  TTD ID: D06OBP

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.