Details of the Drug

General Information of Drug (ID: DMU2GP4)

Drug Name
DT-1687
Synonyms DT-1386; MGluR4 PAM (neurological disease/psychiatric disorder), Domain Therapeutics; MGluR4 PAM (neurological disease/psychiatric disorder), Merck Serono
Indication
Disease Entry ICD 11 Status REF
Parkinson disease 8A00.0 Phase 2 [1]
Neurological disorder 6B60 Investigative [2]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 421.5
Logarithm of the Partition Coefficient (xlogp) 3.7
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C23H23N3O3S
IUPAC Name
(NE)-N-[6-(3-morpholin-4-ylpropyl)-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine
Canonical SMILES
C1COCCN1CCCC2=CC\\3=C(C=C2)OC(=C/C3=N\\O)C4=NC=C5C=CSC5=C4
InChI
InChI=1S/C23H23N3O3S/c27-25-19-13-22(20-14-23-17(15-24-20)5-11-30-23)29-21-4-3-16(12-18(19)21)2-1-6-26-7-9-28-10-8-26/h3-5,11-15,27H,1-2,6-10H2/b25-19+
InChIKey
ZTEDNASHAWNBKQ-NCELDCMTSA-N
Cross-matching ID
PubChem CID
135565465
ChEBI ID
CHEMBL4089083
CAS Number
1883329-53-0
UNII
FR50CP1D6W
DrugBank ID
DB15292
TTD ID
D0L2YR
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

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 [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 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. (Target id: 292).