Details of the Drug

General Information of Drug (ID: DMSA27Z)

• Drug Name: MK-6186
• Synonyms: MK-6186; UNII-K3978U665M; 1034474-19-5; K3978U665M; MK 6186; SCHEMBL2878768; CHEMBL1939499; FZBAOOQVQXATRL-UHFFFAOYSA-N; ZINC73240561; DB12999; DA-16093; 3-(1-((1H-pyrazolo[3,4-b]pyridin-3-yl)methyl)-5-chloro-1H-indazol-4-yloxy)-5-chlorobenzonitrile; FT-0726721; 3-((1-((2H-pyrazolo[3,4-b]pyridin-3-yl)methyl)-5-chloro-1H-indazol-4-yl)oxy)-5-chlorobenzonitrile; 3-chloro-5-{[5-chloro-1-(1H-pyrazolo[3,4- b]pyridin-3-ylmethyl)-1H-indazol-4-yl]oxy}benzonitrile

Indication

Disease Entry	ICD 11	Status	REF
Human immunodeficiency virus infection	1C62	Phase 1	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 435.3
  Logarithm of the Partition Coefficient (xlogp); 4.6
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C21H12Cl2N6O
  IUPAC Name: 3-chloro-5-[5-chloro-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)indazol-4-yl]oxybenzonitrile
  Canonical SMILES: C1=CC2=C(NN=C2N=C1)CN3C4=C(C=N3)C(=C(C=C4)Cl)OC5=CC(=CC(=C5)C#N)Cl
  InChI: InChI=1S/C21H12Cl2N6O/c22-13-6-12(9-24)7-14(8-13)30-20-16-10-26-29(19(16)4-3-17(20)23)11-18-15-2-1-5-25-21(15)28-27-18/h1-8,10H,11H2,(H,25,27,28)
  InChIKey: FZBAOOQVQXATRL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 24988948
  CAS Number: 1034474-19-5
  UNII: K3978U665M
  DrugBank ID: DB12999
  TTD ID: D03PKJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Human immunodeficiency virus Reverse transcriptase (HIV RT)	TT84ETX	POL_HV1B1	Inhibitor	[2]

References

• [1] ClinicalTrials.gov (NCT01152255) MK6186 in HIV-1 Infected Patients (MK-6186-007 AM2). U.S. National Institutes of Health.
• [2] Antiviral activity and in vitro mutation development pathways of MK-6186, a novel nonnucleoside reverse transcriptase inhibitor. Antimicrob Agents Chemother. 2012 Jun;56(6):3324-35.