Details of the Drug

General Information of Drug (ID: DMFZM09)

• Drug Name: CGS-26303
• Synonyms: Cgs-26303; Cgs 26303; 154116-31-1; CHEMBL290698; (S)-2-Biphenyl-4-yl-1-(1H-tetrazol-5-yl)ethylaminomethyl phosphonic acid; cgs26303; SCHEMBL653011; AC1L31X6; CTK4C8115; DTXSID40165541; BDBM50064106; Phosphonic acid, (((2-(1,1'-biphenyl)-4-yl-1-(1H-tetrazol-5-yl)ethyl)amino)methyl)-, (S)-; {[(S)-2-Biphenyl-4-yl-1-(2H-tetrazol-5-yl)-ethylamino]-methyl}-phosphonic acid; {[(S)-2-Biphenyl-4-yl-1-(1H-tetrazol-5-yl)-ethylamino]-methyl}-phosphonic acid; {[(R)-2-Biphenyl-4-yl-1-(1H-tetrazol-5-yl)-ethylamino]-methyl}-phosphonic ac
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 359.32
  Logarithm of the Partition Coefficient (xlogp); -1.5
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C16H18N5O3P
  IUPAC Name: [[(1S)-2-(4-phenylphenyl)-1-(2H-tetrazol-5-yl)ethyl]amino]methylphosphonic acid
  Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C[C@@H](C3=NNN=N3)NCP(=O)(O)O
  InChI: InChI=1S/C16H18N5O3P/c22-25(23,24)11-17-15(16-18-20-21-19-16)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15,17H,10-11H2,(H2,22,23,24)(H,18,19,20,21)/t15-/m0/s1
  InChIKey: UUMKQZVEZSXWBY-HNNXBMFYSA-N
• Cross-matching ID:
  PubChem CID: 132968
  CAS Number: 154116-31-1
  TTD ID: D02DLE

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Neutral endopeptidase (MME)	TT5TKPM	NEP_HUMAN	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Endothelin-converting enzyme 1 (ECE1)	OTPFHC6F	ECE1_HUMAN	Gene/Protein Processing	[2]

References

• [1] Potent non-peptidic dual inhibitors of endothelin-converting enzyme and neutral endopeptidase 24.11, Bioorg. Med. Chem. Lett. 7(8):1059-1064 (1997).
• [2] Potent and selective non-peptidic inhibitors of endothelin-converting enzyme-1 with sustained duration of action. J Med Chem. 2000 Feb 10;43(3):488-504. doi: 10.1021/jm990507o.