Details of the Drug

General Information of Drug (ID: DMADOK6)

Drug Name

G-25

Synonyms

SCHEMBL16529235; BDBM286896; US9567304, Compound G-25

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): 2

Molecular Weight (mw)

687.5

Logarithm of the Partition Coefficient (xlogp)

3.7

Rotatable Bond Count (rotbonds)

10

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

12

Chemical Identifiers

Formula: C25H27Cl2F3N4O7S2
IUPAC Name: N-[[(2S)-1-[[8-chloro-3-[(5-chloro-2-ethylsulfonylphenyl)methyl]-2,4-dioxo-6-(trifluoromethoxy)-1H-quinazolin-7-yl]methyl]pyrrolidin-2-yl]methyl]methanesulfonamide
Canonical SMILES: CCS(=O)(=O)C1=C(C=C(C=C1)Cl)CN2C(=O)C3=CC(=C(C(=C3NC2=O)Cl)CN4CCC[C@H]4CNS(=O)(=O)C)OC(F)(F)F
InChI: InChI=1S/C25H27Cl2F3N4O7S2/c1-3-43(39,40)20-7-6-15(26)9-14(20)12-34-23(35)17-10-19(41-25(28,29)30)18(21(27)22(17)32-24(34)36)13-33-8-4-5-16(33)11-31-42(2,37)38/h6-7,9-10,16,31H,3-5,8,11-13H2,1-2H3,(H,32,36)/t16-/m0/s1
InChIKey: ADNJLXQZOZXZJU-INIZCTEOSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Plasmodium Choline transporter (Malaria CT)	TTCS8WB	Q8I5S7_PLAF7	Blocker	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Novel molecular targets for antimalarial drug development. Chem Biol Drug Des. 2008 Apr;71(4):287-97.