Details of the Drug

General Information of Drug (ID: DMXD3T7)

Drug Name

VU0010010

Synonyms

VU0010010; GTPL7633

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 is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

347.9

Logarithm of the Partition Coefficient (xlogp)

3.2

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C17H18ClN3OS
IUPAC Name: 3-amino-N-[(4-chlorophenyl)methyl]-5,6-dimethyl-2,3-dihydrothieno[2,3-b]pyridine-2-carboxamide
Canonical SMILES: CC1=CC2=C(N=C1C)SC(C2N)C(=O)NCC3=CC=C(C=C3)Cl
InChI: InChI=1S/C17H18ClN3OS/c1-9-7-13-14(19)15(23-17(13)21-10(9)2)16(22)20-8-11-3-5-12(18)6-4-11/h3-7,14-15H,8,19H2,1-2H3,(H,20,22)
InChIKey: VUEHIWNVURDJMB-UHFFFAOYSA-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: 7633).
2	Subtype-selective allosteric modulators of muscarinic receptors for the treatment of CNS disorders. Trends Pharmacol Sci. 2009 Mar;30(3):148-55.