General Information of the Compound
Compound ID
CP0370713
Compound Name
(NE)-N-[6-(3-morpholin-4-ylpropyl)-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine
    Show/Hide
Synonyms
DT-1386
DT-1687
MGluR4 PAM (neurological disease/psychiatric disorder), Domain Therapeutics
MGluR4 PAM (neurological disease/psychiatric disorder), Merck Serono
    Show/Hide
Structure
Formula
C23H23N3O3S
Molecular Weight
421.522
Canonical SMILES
O\N=c1/cc(oc2ccc(CCCN3CCOCC3)cc12)-c1cc2sccc2cn1
    Show/Hide
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+
    Show/Hide
InChIKey
ZTEDNASHAWNBKQ-NCELDCMTSA-N
Physicochemical Property
logP
4.2642
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
71.09
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
30

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 135565465
ChEMBL ID
CHEMBL4089083
DrugBank ID
DB15292
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02446, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 47 nM
   TI
   LI
   LO
   TS
Protein ID: PT02199, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 79 nM
   TI
   LI
   LO
   TS
2
EC50 > 15000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( DT-1687 )
Drug Name DT-1687
Company Domain Therapeutics SA
Indication
Parkinson disease
Phase 2
Parkinson disease
Phase 2
Neurological disorder
Investigative
Target(s)
Metabotropic glutamate receptor 4 (mGluR4)
Modulator