Details of the Drug

General Information of Drug (ID: DMU3YRH)

Drug Name

VU0240551

Synonyms

893990-34-6; VU 0240551; VU0240551; N-(4-Methyl-2-thiazolyl)-2-[(6-phenyl-3-pyridazinyl)thio]-acetamide; VU0240551-2-D4; N-(4-methylthiazol-2-yl)-2-(6-phenylpyridazin-3-ylthio)acetamide; VU-0240551; n-(4-methyl-2-thiazolyl)-2-[(6-phenyl-3-pyridazinyl)thio]acetamide; VU0240551-1; N-(4-methyl-1,3-thiazol-2-yl)-2-[(6-phenylpyridazin-3-yl)thio]acetamide; C16H14N4OS2; C26H30N2O5; N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide; AC1OHJ6T; MLS000621247; GTPL4665; CHEMBL1491962; SCHEMBL20240442; BDBM43891

Indication

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

Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

342.4

Logarithm of the Partition Coefficient (xlogp)

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C16H14N4OS2
IUPAC Name: N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
Canonical SMILES: CC1=CSC(=N1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CC=C3
InChI: InChI=1S/C16H14N4OS2/c1-11-9-23-16(17-11)18-14(21)10-22-15-8-7-13(19-20-15)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18,21)
InChIKey: WJRWSLORVIHRNX-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 7211972
ChEBI ID: CHEBI:92476
CAS Number: 893990-34-6
TTD ID: D0M2PP

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Solute carrier family 12 member 5 (SLC12A5)	TTH6UZY	S12A5_HUMAN	Inhibitor	[2]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

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: 4665).
2	Small-molecule screen identifies inhibitors of the neuronal K-Cl cotransporter KCC2. Proc Natl Acad Sci U S A. 2009 Mar 31;106(13):5383-8.