General Information of the Compound
Compound ID
CP0087775
Compound Name
CGS-26303
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Synonyms
(S)-2-Biphenyl-4-yl-1-(1H-tetrazol-5-yl)ethylaminomethyl phosphonic acid
154116-31-1
AC1L31X6
BDBM50064106
CGS-26303
CHEMBL290698
CTK4C8115
Cgs 26303
Cgs-26303
DTXSID40165541
Phosphonic acid, (((2-(1,1'-biphenyl)-4-yl-1-(1H-tetrazol-5-yl)ethyl)amino)methyl)-, (S)-
SCHEMBL653011
cgs26303
{[(R)-2-Biphenyl-4-yl-1-(1H-tetrazol-5-yl)-ethylamino]-methyl}-phosphonic ac
{[(S)-2-Biphenyl-4-yl-1-(1H-tetrazol-5-yl)-ethylamino]-methyl}-phosphonic acid
{[(S)-2-Biphenyl-4-yl-1-(2H-tetrazol-5-yl)-ethylamino]-methyl}-phosphonic acid
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Structure
Formula
C16H18N5O3P
Molecular Weight
359.326
Canonical SMILES
OP(O)(=O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)c1nnn[nH]1
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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
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InChIKey
UUMKQZVEZSXWBY-HNNXBMFYSA-N
Physicochemical Property
logP
1.8753
Rotatable Bonds
7
Heavy Atom Count
25
Polar Areas
124.02
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
5
Complexity
25

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 132968
SID: 14901302
ChEMBL ID
CHEMBL290698
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01982, Endothelin-converting enzyme 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 410 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 410 nM
Clinical Information about the Compound
Drug 1 ( CGS-26303 )
Drug Name CGS-26303
Target(s)
Neutral endopeptidase (MME)
Inhibitor