Details of the Drug

General Information of Drug (ID: DMEBM19)

Drug Name
PMID21688779C22a
Synonyms TC-N 22A; 1314140-00-5; GTPL6231; MolPort-023-277-166; BDBM50353290; ZINC72118775; AKOS024458120; NCGC00371008-01
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) 283.35
Logarithm of the Partition Coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C14H13N5S
IUPAC Name
N-pyridin-2-yl-5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine
Canonical SMILES
C1CC2=C(C=NN2)C3=C(C1)SC(=N3)NC4=CC=CC=N4
InChI
InChI=1S/C14H13N5S/c1-2-7-15-12(6-1)17-14-18-13-9-8-16-19-10(9)4-3-5-11(13)20-14/h1-2,6-8H,3-5H2,(H,16,19)(H,15,17,18)
InChIKey
DBISXWCOHGUFSF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
46836562
ChEBI ID
CHEMBL1830707
TTD ID
D00NCL
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Metabotropic glutamate receptor 4 (mGluR4) TTICZ1O GRM4_HUMAN Modulator (allosteric modulator) [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Tricyclic thiazolopyrazole derivatives as metabotropic glutamate receptor 4 positive allosteric modulators. J Med Chem. 2011 Jul 28;54(14):5070-81.