Details of the Drug

General Information of Drug (ID: DMZ4KO0)

• Drug Name: L17
• Synonyms: Hydroxybutorphanol tartrate; AC1MI7CW; Morphinan-3,14-diol, 17-((3-trans-hydroxycyclobutyl)methyl)-, tartrate (2:1), l-; l-17-((3-trans-Hydroxycyclobutyl)methyl)morphinan-3,14-diol tartrate (2:1); Morphinan-3,14-diol, 17-((3-hydroxycyclobutyl)methyl)-, (17(trans))-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1) (salt)

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight; 837
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 7
  Hydrogen Bond Donor Count; 10
  Hydrogen Bond Acceptor Count; 14
• Chemical Identifiers:
  Formula: C46H64N2O12
  IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioic acid;17-[(3-hydroxycyclobutyl)methyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol
  Canonical SMILES: C1CCC2(C3CC4=C(C2(C1)CCN3CC5CC(C5)O)C=C(C=C4)O)O.C1CCC2(C3CC4=C(C2(C1)CCN3CC5CC(C5)O)C=C(C=C4)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
  InChI: InChI=1S/2C21H29NO3.C4H6O6/c2*23-16-4-3-15-11-19-21(25)6-2-1-5-20(21,18(15)12-16)7-8-22(19)13-14-9-17(24)10-14;5-1(3(7)8)2(6)4(9)10/h2*3-4,12,14,17,19,23-25H,1-2,5-11,13H2;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1
  InChIKey: HIJHYZCQDMUGEP-CEAXSRTFSA-N
• Cross-matching ID:
  PubChem CID: 3064245
  TTD ID: D09OSF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Human immunodeficiency virus Integrase (HIV IN)	TT5FH9Y	POL_HV1B1	Inhibitor	[1]

References

• [1] Specific inhibition of human immunodeficiency virus type 1 (HIV-1) integration in cell culture: putative inhibitors of HIV-1 integrase. Antimicrob Agents Chemother. 2001 Sep;45(9):2510-6.