Details of the Drug

General Information of Drug (ID: DMK5JB8)

Drug Name
PMID19524438C6o
Synonyms GTPL5800; BDBM50414494
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) 319.4
Logarithm of the Partition Coefficient (xlogp) 2.9
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C14H13N3O2S2
IUPAC Name
3-[bis(thiophen-3-ylmethyl)amino]-1H-pyrazole-5-carboxylic acid
Canonical SMILES
C1=CSC=C1CN(CC2=CSC=C2)C3=NNC(=C3)C(=O)O
InChI
InChI=1S/C14H13N3O2S2/c18-14(19)12-5-13(16-15-12)17(6-10-1-3-20-8-10)7-11-2-4-21-9-11/h1-5,8-9H,6-7H2,(H,15,16)(H,18,19)
InChIKey
SQUDZZYXGWLQLZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44250176
ChEBI ID
CHEMBL564300
TTD ID
D0T2KY
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Hydroxycarboxylic acid receptor 3 (HCAR3) TT8WFXV HCAR3_HUMAN Agonist [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 5-N,N-Disubstituted 5-aminopyrazole-3-carboxylic acids are highly potent agonists of GPR109b. Bioorg Med Chem Lett. 2009 Aug 1;19(15):4207-9.