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
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL290698
CAS Number
154116-31-1
TTD ID
D02DLE
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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).