Details of the Drug

General Information of Drug (ID: DMFHS4V)

Drug Name
PMID20638279C11
Synonyms TCN 238; 125404-04-8; TCN238; GTPL6235; DTXSID00677236; MolPort-018-616-308; ZINC58593499; BDBM50323546; AKOS000278717; CS-6515; 53924-99-5; KB-69615; HY-14419; B7629; J-005224
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) 197.24
Logarithm of the Partition Coefficient (xlogp) 2.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C12H11N3
IUPAC Name
4-[(E)-2-phenylethenyl]pyrimidin-2-amine
Canonical SMILES
C1=CC=C(C=C1)/C=C/C2=NC(=NC=C2)N
InChI
InChI=1S/C12H11N3/c13-12-14-9-8-11(15-12)7-6-10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)/b7-6+
InChIKey
LNUXNUNUGIHCPA-VOTSOKGWSA-N
Cross-matching ID
PubChem CID
46911068
ChEBI ID
CHEMBL1209431
CAS Number
125404-04-8
TTD ID
D03PGL
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE 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 (allosteric modulator) [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 An orally bioavailable positive allosteric modulator of the mGlu4 receptor with efficacy in an animal model of motor dysfunction. Bioorg Med Chem Lett. 2010 Aug 15;20(16):4901-5.