Details of the Drug

General Information of Drug (ID: DM31V7K)

Drug Name

VU10007

Synonyms

(S)-3-Amino-4,6-dimethyl-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide 2,2,2-trifluoroacetate; VU10007; AC1LEQT2; CHEMBL1212991; ZINC61353

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)

325.4

Logarithm of the Partition Coefficient (xlogp)

4.3

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C18H19N3OS
IUPAC Name: 3-amino-4,6-dimethyl-N-[(1S)-1-phenylethyl]thieno[2,3-b]pyridine-2-carboxamide
Canonical SMILES: CC1=CC(=NC2=C1C(=C(S2)C(=O)N[C@@H](C)C3=CC=CC=C3)N)C
InChI: InChI=1S/C18H19N3OS/c1-10-9-11(2)20-18-14(10)15(19)16(23-18)17(22)21-12(3)13-7-5-4-6-8-13/h4-9,12H,19H2,1-3H3,(H,21,22)/t12-/m0/s1
InChIKey: MCAYWJFTDPUQKE-LBPRGKRZSA-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 M4 (CHRM4)	TTQ3JTF	ACM4_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Muscarinic acetylcholine receptor M4 (CHRM4)	DTT	CHRM4	1.93E-01	-0.08	-0.27
Muscarinic acetylcholine receptor M4 (CHRM4)	DTT	CHRM4	1.62E-01	-0.11	-0.63

Molecular Expression Atlas (MEA)

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References

1	An allosteric potentiator of M4 mAChR modulates hippocampal synaptic transmission. Nat Chem Biol. 2008 Jan;4(1):42-50.