Details of the Drug

General Information of Drug (ID: DMP9GFZ)

Drug Name

DAU-6285

Synonyms

Dau 6285; CHEMBL552854; (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 6-methoxy-2-oxo-3H-benzimidazole-1-carboxylate; AC1L2WHB; GTPL246; SCHEMBL2945410; CHEMBL1194556; PDSP1_000035; BDBM50007863; PDSP2_000035; PDSP1_001680; PDSP2_001663; L000897; 6-Methoxy-2-oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester

Indication

Disease Entry	ICD 11	Status	REF
Vomiting	MD90	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

367.8

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

3

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

5

Chemical Identifiers

Formula: C17H22ClN3O4
IUPAC Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 6-methoxy-2-oxo-3H-benzimidazole-1-carboxylate;hydrochloride
Canonical SMILES: CN1C2CCC1CC(C2)OC(=O)N3C4=C(C=CC(=C4)OC)NC3=O.Cl
InChI: InChI=1S/C17H21N3O4.ClH/c1-19-10-3-4-11(19)8-13(7-10)24-17(22)20-15-9-12(23-2)5-6-14(15)18-16(20)21;/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,18,21);1H
InChIKey: MXZAMPPIKDHMOJ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 129927
CAS Number: 123258-98-0
TTD ID: D04GSA

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 4 receptor (HTR4)	TT07C3Y	5HT4R_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Vomiting

ICD Disease Classification

MD90

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
5-HT 4 receptor (HTR4)	DTT	HTR4	6.16E-01	-0.03	-0.24

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression 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: 246).
2	The novel 5-HT4 receptor antagonist DAU 6285 antagonizes 5-hydroxytryptamine-induced tachycardia in pigs. Eur J Pharmacol. 1993 Mar 23;233(2-3):295-7.