Details of the Drug

General Information of Drug (ID: DMJYIVA)

• Drug Name: ZK-91296
• Synonyms: ZK 91296; 83910-34-3; Ethyl 5-benzyloxy-4-methoxymethyl-beta-carboline-3-carboxylate; 9H-Pyrido(3,4-b)indole-3-carboxylic acid, 4-(methoxymethyl)-5-(phenylmethoxy)-, ethyl ester; WFPXOWCKXUEKCA-UHFFFAOYSA-N; AC1Q64YJ; SCHEMBL8845201; AC1L3X51; zk91296; BDBM85040; PDSP2_001753; ethyl 5-(benzyloxy)-4-(methoxymethyl)-9h-; PDSP1_001770; CAS_123700; NSC_123700; LS-187464; LS-186794; 5-benzyloxy-4-methoxymethyl-beta-carboline-3-carboxylic acid-ethyl ester

Indication

Disease Entry	ICD 11	Status	REF
Alzheimer disease	8A20	Terminated	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 390.4
  Logarithm of the Partition Coefficient (xlogp); 4
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C23H22N2O4
  IUPAC Name: ethyl 4-(methoxymethyl)-5-phenylmethoxy-9H-pyrido[3,4-b]indole-3-carboxylate
  Canonical SMILES: CCOC(=O)C1=NC=C2C(=C1COC)C3=C(N2)C=CC=C3OCC4=CC=CC=C4
  InChI: InChI=1S/C23H22N2O4/c1-3-28-23(26)22-16(14-27-2)20-18(12-24-22)25-17-10-7-11-19(21(17)20)29-13-15-8-5-4-6-9-15/h4-12,25H,3,13-14H2,1-2H3
  InChIKey: WFPXOWCKXUEKCA-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 123700
  ChEBI ID: CHEMBL4747460
  CAS Number: 83910-34-3
  TTD ID: D02UIE
• 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
GABA(A) receptor gamma-3 (GABRG3)	TTEX6LM	GBRG3_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 800000552)
• [2] Enhancement of gamma-aminobutyric acid binding by the anxiolytic beta-carbolines ZK 93423 and ZK 91296. J Neurochem. 1987 May;48(5):1355-8.