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]
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
PubChem CID
690842
TTD ID
D04BBK

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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) Jump to Detail Molecular Expression Atlas of This Drug

References

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