Details of the Drug

General Information of Drug (ID: DM2HGCB)

Drug Name

VU10010

Synonyms

633283-39-3; VU 10010; 3-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide; VU-10010; CHEMBL1212994; VU10010; 3-amino-N-(4-chlorobenzyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide; FPRULFHDSFKYBV-UHFFFAOYSA-N; 2fLI; 2-Fly; f-LIGRLO-NH2; AC1LEM0C; 2-fAP; 2-f-LIGRLO-NH2; MLS002474501; cid_714286; CTK5B8654; DTXSID30351931; MolPort-002-722-568; HMS3431D09; ZINC109066; STL227650; BDBM50323691; AKOS000282930; MCULE-8947006791; NCGC00378784-01; KB-81468; SMR001398666; RT-016241; B7285

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)

345.8

Logarithm of the Partition Coefficient (xlogp)

4.6

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C17H16ClN3OS
IUPAC Name: 3-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
Canonical SMILES: CC1=CC(=NC2=C1C(=C(S2)C(=O)NCC3=CC=C(C=C3)Cl)N)C
InChI: InChI=1S/C17H16ClN3OS/c1-9-7-10(2)21-17-13(9)14(19)15(23-17)16(22)20-8-11-3-5-12(18)6-4-11/h3-7H,8,19H2,1-2H3,(H,20,22)
InChIKey: FPRULFHDSFKYBV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 714286
CAS Number: 633283-39-3
TTD ID: D0N2VN

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)

MIA Detail

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)

MEA Detail

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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.