Details of the Drug

General Information of Drug (ID: DMRNLGW)

Drug Name

VU0029767

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

363.4

Logarithm of the Partition Coefficient (xlogp)

4.1

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C21H21N3O3
IUPAC Name: 2-(4-ethoxyanilino)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
Canonical SMILES: CCOC1=CC=C(C=C1)NCC(=O)N/N=C/C2=C(C=CC3=CC=CC=C32)O
InChI: InChI=1S/C21H21N3O3/c1-2-27-17-10-8-16(9-11-17)22-14-21(26)24-23-13-19-18-6-4-3-5-15(18)7-12-20(19)25/h3-13,22,25H,2,14H2,1H3,(H,24,26)/b23-13+
InChIKey: JWRJGCUSLSJMMD-YDZHTSKRSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Muscarinic acetylcholine receptor (CHRM)	TTOXS3C	NOUNIPROTAC	Modulator (allosteric modulator)	[2]

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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: 3261).
2	Discovery and characterization of novel allosteric potentiators of M1 muscarinic receptors reveals multiple modes of activity. Mol Pharmacol. 2009 Mar;75(3):577-88.