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]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#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
CAS Number: 83910-34-3
TTD ID: D02UIE

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]

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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 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.