Details of the Drug

General Information of Drug (ID: DMFWMKZ)

Drug Name

ZK-93423

Synonyms

ZK 93423; 83910-44-5; ZK93423; ZK 93 423; 6-Benzyloxy-4-methoxymethyl-beta-carboline-3-carboxylic acid ethyl ester; 9H-Pyrido(3,4-b)indole-3-carboxylic acid, 4-(methoxymethyl)-6-(phenylmethoxy)-, ethyl ester; ALBKMJDFBZVHAK-UHFFFAOYSA-N; PDSP1_001754; AC1L3TNV; AC1Q64YI; CHEMBL10947; GTPL4346; SCHEMBL7117282; CHEMBL1518572; BDBM85039; CHEBI:92593; ZINC5857871; PDSP2_001737; PDSP1_001771; ethyl 6-(benzyloxy)-4-(methoxymethyl)-9h-; BDBM50007553; PDSP2_001754; CAS_121926; NSC_121926

Indication

Disease Entry	ICD 11	Status	REF
Epileptic seizures	8A61-8A6Z	Phase 3	[1]

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)

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C23H22N2O4
IUPAC Name: ethyl 4-(methoxymethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indole-3-carboxylate
Canonical SMILES: CCOC(=O)C1=NC=C2C(=C1COC)C3=C(N2)C=CC(=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C23H22N2O4/c1-3-28-23(26)22-18(14-27-2)21-17-11-16(29-13-15-7-5-4-6-8-15)9-10-19(17)25-20(21)12-24-22/h4-12,25H,3,13-14H2,1-2H3
InChIKey: ALBKMJDFBZVHAK-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 121926
ChEBI ID: CHEMBL1518572
CAS Number: 83910-44-5
UNII: B6PWX5B47Q
DrugBank ID: DB17063
TTD ID: D07ZCK

Drug-Molecule Activity Atlas (DMA)^NEW

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Drug Pharmacogenomic Perturbation (DPP)^NEW

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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 alpha-1 (GABRA1)	TT1MPAY	GBRA1_HUMAN	Inhibitor	[2]
GABA(A) receptor beta-2 (GABRB2)	TTZA1NY	GBRB2_HUMAN	Inhibitor	[2]
GABA(A) receptor gamma-2 (GABRG2)	TT06RH5	GBRG2_HUMAN	Inhibitor	[2]
Gamma-aminobutyric acid receptor (GAR)	TTNJYV2	NOUNIPROTAC	Inhibitor	[2]

Molecular Interaction Atlas (MIA)

MIA Detail

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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: 4346).
2	Structural requirements for agonist actions at the benzodiazepine receptor: studies with analogues of 6-(benzyloxy)-4-(methoxymethyl)-beta-carbolin... J Med Chem. 1990 Mar;33(3):1062-9.