Details of the Drug

General Information of Drug (ID: DM5OHVN)

• Drug Name: Lophocladine a
• Synonyms: Lophocladine A; 887705-27-3; Lophocladines A; 2,7-Naphthyridin-1(2H)-one,4-phenyl-; CHEMBL472895; CTK2I1445; DTXSID90470935; AKOS030621149; 4-phenyl[2,7]naphthyridin-1(2H)-one; 2,7-Naphthyridin-1(2H)-one, 4-phenyl-

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 222.24
  Logarithm of the Partition Coefficient (xlogp); 1.4
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C14H10N2O
  IUPAC Name: 4-phenyl-2H-2,7-naphthyridin-1-one
  Canonical SMILES: C1=CC=C(C=C1)C2=CNC(=O)C3=C2C=CN=C3
  InChI: InChI=1S/C14H10N2O/c17-14-13-8-15-7-6-11(13)12(9-16-14)10-4-2-1-3-5-10/h1-9H,(H,16,17)
  InChIKey: JIWHQPVTDQXELV-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11708368
  CAS Number: 887705-27-3
  TTD ID: D0ZY3C

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Opioid receptor delta (OPRD1)	TT27RFC	OPRD_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Opioid receptor delta (OPRD1)	DTT	OPRD1	5.52E-01	0.03	0.23

References

• [1] Lophocladines, bioactive alkaloids from the red alga Lophocladia sp. J Nat Prod. 2006 Apr;69(4):640-4.