Details of the Drug

General Information of Drug (ID: DMMDQ5T)

Drug Name

ZK-93426

Synonyms

ZK-93426; ZK 93426; ZK93426; ZK 93 426; CHEMBL1271047; 89592-45-0; 5-Isopropoxy-4-methyl-beta-carboline-3-carboxylic acid ethyl ester; Ethyl 4-methyl-5-(1-methylethoxy)-9H-pyrido(3,4-b)indole-3-carboxylate; 9H-Pyrido(3,4-b)indole-3-carboxylic acid, 4-methyl-5-(1-methylethoxy)-, ethyl ester; AC1L3GQB; SCHEMBL195334; GTPL4347; CHEBI:93201; ZINC5857864; BDBM50329658; NCGC00161396-01; LS-178094; BRD-K68392338-003-01-2; ethyl 5-isopropoxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate; ethyl 4-methyl-5-propan-2-yloxy-9H-pyrido[5,4-

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)

312.4

Logarithm of the Partition Coefficient (xlogp)

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C18H20N2O3
IUPAC Name: ethyl 4-methyl-5-propan-2-yloxy-9H-pyrido[3,4-b]indole-3-carboxylate
Canonical SMILES: CCOC(=O)C1=NC=C2C(=C1C)C3=C(N2)C=CC=C3OC(C)C
InChI: InChI=1S/C18H20N2O3/c1-5-22-18(21)17-11(4)15-13(9-19-17)20-12-7-6-8-14(16(12)15)23-10(2)3/h6-10,20H,5H2,1-4H3
InChIKey: VMDUABMKBUKKPG-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 115210
ChEBI ID: CHEBI:93201
CAS Number: 89592-45-0
TTD ID: D0P3IE

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	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4347).
2	Actions of the beta-carboline ZK 93426 in an animal test of anxiety and the holeboard: interactions with Ro 15-1788. J Neural Transm. 1986;65(2):103-14.