Details of the Drug

General Information of Drug (ID: DMZR6GI)

• Drug Name: Sch-34826
• Synonyms: Sch-34826; Sch 34826; 105262-04-2; N-(N-(1-(((2,2-Dimethyl-1,3-dioxolan-4-yl) methoxy)carbonyl)-2-phenylethyl)phenylalanine)alanine; beta-Alanine, N-(N-(2-((2,2-dimethyl-1,3-dioxolan-4-yl)methoxy)-2-oxo-1-(phenylmethyl)ethyl)-L-phenylalanyl)-; SCHEMBL489561; AC1L3U54; LS-186875; LS-187530; 3-[[(2S)-2-[[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1-oxo-3-phenylpropan-2-yl]amino]-3-phenylpropanoyl]amino]propanoic acid

Indication

Disease Entry	ICD 11	Status	REF
Hypertension	BA00-BA04	Discontinued in Phase 2	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 498.6
  Logarithm of the Partition Coefficient (xlogp); 0.5
  Rotatable Bond Count (rotbonds); 14
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C27H34N2O7
  IUPAC Name: 3-[[(2S)-2-[[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-1-oxo-3-phenylpropan-2-yl]amino]-3-phenylpropanoyl]amino]propanoic acid
  Canonical SMILES: CC1(OCC(O1)COC(=O)C(CC2=CC=CC=C2)N[C@@H](CC3=CC=CC=C3)C(=O)NCCC(=O)O)C
  InChI: InChI=1S/C27H34N2O7/c1-27(2)35-18-21(36-27)17-34-26(33)23(16-20-11-7-4-8-12-20)29-22(15-19-9-5-3-6-10-19)25(32)28-14-13-24(30)31/h3-12,21-23,29H,13-18H2,1-2H3,(H,28,32)(H,30,31)/t21?,22-,23?/m0/s1
  InChIKey: GWLFRMJMKXSMSR-KOENEWCDSA-N
• Cross-matching ID:
  PubChem CID: 122184
  CAS Number: 105262-04-2
  TTD ID: D0H1GF

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]

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 800000196)
• [2] Pharmacology of SCH 34826, an orally active enkephalinase inhibitor analgesic. J Pharmacol Exp Ther. 1988 Jun;245(3):829-38.