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]
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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
CAS Number: 125404-04-8
TTD ID: D03PGL

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]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Metabotropic glutamate receptor 4 (GRM4)	OT5ID1DZ	GRM4_HUMAN	Protein Interaction/Cellular Processes	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.