Details of the Drug | DrugMAP

General Information of Drug (ID: DMKM93Q)

Drug Name	US10150740, Example 4
Synonyms	SCHEMBL18426560; US10150740, Example 4; BDBM307508
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			344.4
	Logarithm of the Partition Coefficient (xlogp)			0.5
	Rotatable Bond Count (rotbonds)			4
	Hydrogen Bond Donor Count (hbonddonor)			1
	Hydrogen Bond Acceptor Count (hbondacc)			7
Chemical Identifiers	Formula C18H20N2O5 IUPAC Name 9,10-dimethoxy-2-oxo-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid Canonical SMILES CC(C)N1CC2=CC(=C(C=C2C3=CC(=O)C(=CN31)C(=O)O)OC)OC InChI InChI=1S/C18H20N2O5/c1-10(2)19-8-11-5-16(24-3)17(25-4)6-12(11)14-7-15(21)13(18(22)23)9-20(14)19/h5-7,9-10H,8H2,1-4H3,(H,22,23) InChIKey PURJTKDWCZADSM-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 126509775 TTD ID D08VSV

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)

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References

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