Details of the Drug

General Information of Drug (ID: DMTASYN)

Drug Name

PMID19309152C2g

Synonyms

GTPL5791; BDBM50277582

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)

377.4

Logarithm of the Partition Coefficient (xlogp)

3

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C21H19N3O4
IUPAC Name: 2-[3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid
Canonical SMILES: C1CC2=C(C=NN2C3=C1C=C(C=C3)O)CCC(=O)NC4=CC=CC=C4C(=O)O
InChI: InChI=1S/C21H19N3O4/c25-15-7-9-18-13(11-15)5-8-19-14(12-22-24(18)19)6-10-20(26)23-17-4-2-1-3-16(17)21(27)28/h1-4,7,9,11-12,25H,5-6,8,10H2,(H,23,26)(H,27,28)
InChIKey: PCUNTWOSLIUDRR-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nicotinic acid receptor (HCAR2)	TTWNV8U	HCAR2_HUMAN	Agonist	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Discovery of novel tricyclic full agonists for the G-protein-coupled niacin receptor 109A with minimized flushing in rats. J Med Chem. 2009 Apr 23;52(8):2587-602.