Details of the Drug

General Information of Drug (ID: DMB6FN7)

Drug Name

GNF-PF-85

Synonyms

GNF-PF-85; 3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]naphthalen-2-ol; 3-({5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)naphthalen-2-ol; BAS 01083131; AC1LFFF4; Oprea1_463466; Oprea1_430691; SCHEMBL4939616; CHEMBL487518; BDBM24409; ZINC267589; AKOS024371314; Triazolopyrimidine-Based Compound, 16; MCULE-8335313178; ST51007753; SR-01000326143; SR-01000326143-1; 3-(5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ylamino)-naphthalen-2-ol

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

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

291.31

Logarithm of the Partition Coefficient (xlogp)

3.3

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C16H13N5O
IUPAC Name: 3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]naphthalen-2-ol
Canonical SMILES: CC1=NC2=NC=NN2C(=C1)NC3=CC4=CC=CC=C4C=C3O
InChI: InChI=1S/C16H13N5O/c1-10-6-15(21-16(19-10)17-9-18-21)20-13-7-11-4-2-3-5-12(11)8-14(13)22/h2-9,20,22H,1H3
InChIKey: OMQCQQGZRWJBCI-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 777193
TTD ID: D0HQ1I

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Plasmodium Dihydroorotate dehydrogenase (Malaria DHOdehase)	TT3PQ2Y	PYRD_PLAF7	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Triazolopyrimidine-based dihydroorotate dehydrogenase inhibitors with potent and selective activity against the malaria parasite Plasmodium falcipa... J Med Chem. 2008 Jun 26;51(12):3649-53.