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]
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) 4
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
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
CHEMBL1271047
CAS Number
89592-45-0
TTD ID
D0P3IE
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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]
Molecular Interaction Atlas (MIA) 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.