Details of the Drug

General Information of Drug (ID: DM4U72A)

Drug Name

CGS-26393

Synonyms

Cgs 26393; Cgs-26393; 154116-34-4; AC1L2SSW; cgs26393; CHEMBL36795; SCHEMBL8921559; CTK4C8116; DTXSID00165542; 2-Biphenyl-4-yl-1-(1H-tetrazol-5-yl)ethylaminoethyl phosphonic acid; (S)-Diphenyl (((2-(1,1'-biphenyl)-4-yl-1-(1H-tetrazol-5-yl)ethyl)amino)methyl)phosphonate; (1S)-N-(diphenoxyphosphorylmethyl)-2-(4-phenylphenyl)-1-(2H-tetrazol-5-yl)ethanamine; Phosphonic acid, (((2-(1,1'-biphenyl)-4-yl-1-(1H-tetrazol-5-yl)ethyl)amino)methyl)-, diphenyl ester, (S)-; Phosphonic acid,P-[[[(1S)-2-[1,1'-biphenyl]-4-yl-1-(2H-tetraz

Indication

Disease Entry	ICD 11	Status	REF
Heart disease	BA41-BA42	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 3

Molecular Weight (mw)

511.5

Logarithm of the Partition Coefficient (xlogp)

5.5

Rotatable Bond Count (rotbonds)

11

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C28H26N5O3P
IUPAC Name: (1S)-N-(diphenoxyphosphorylmethyl)-2-(4-phenylphenyl)-1-(2H-tetrazol-5-yl)ethanamine
Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C[C@@H](C3=NNN=N3)NCP(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5
InChI: InChI=1S/C28H26N5O3P/c34-37(35-25-12-6-2-7-13-25,36-26-14-8-3-9-15-26)21-29-27(28-30-32-33-31-28)20-22-16-18-24(19-17-22)23-10-4-1-5-11-23/h1-19,27,29H,20-21H2,(H,30,31,32,33)/t27-/m0/s1
InChIKey: AHIFMZUYRNPRJK-MHZLTWQESA-N

Cross-matching ID

PubChem CID: 127883
CAS Number: 154116-34-4
TTD ID: D0DS4P

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Neutral endopeptidase (MME)	TT5TKPM	NEP_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800005940)
2	Oral administration of an inhibitor of endothelin-converting enzyme attenuates cerebral vasospasm following experimental subarachnoid haemorrhage in rabbits. Clin Sci (Lond). 2002 Aug;103 Suppl 48:414S-417S.