Details of the Drug | DrugMAP

General Information of Drug (ID: DM1VPLU)

Drug Name	US10150740, Example 9
Synonyms	SCHEMBL18425902; US10150740, Example 9; BDBM307513
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			464.5
	Logarithm of the Partition Coefficient (xlogp)			0.7
	Rotatable Bond Count (rotbonds)			9
	Hydrogen Bond Donor Count (hbonddonor)			1
	Hydrogen Bond Acceptor Count (hbondacc)			9
Chemical Identifiers	Formula C22H28N2O7S IUPAC Name 10-methoxy-6-(2-methylpropyl)-9-(3-methylsulfonylpropoxy)-2-oxo-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid Canonical SMILES CC(C)CN1CC2=CC(=C(C=C2C3=CC(=O)C(=CN31)C(=O)O)OC)OCCCS(=O)(=O)C InChI InChI=1S/C22H28N2O7S/c1-14(2)11-23-12-15-8-21(31-6-5-7-32(4,28)29)20(30-3)9-16(15)18-10-19(25)17(22(26)27)13-24(18)23/h8-10,13-14H,5-7,11-12H2,1-4H3,(H,26,27) InChIKey RECMZXKLBVQDRN-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 126509196 TTD ID D0CD5P

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Hepatitis C virus Core protein messenger RNA (HCV Core mRNA)	TTQFZWR	POLG_HCV1	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	6,7-dihydropyrido[2,1-A]phthalazin-2-ones for the treatment and prophylaxis of hepatitis B virus infection. US10150740.