Drug Information

Drug General Information
Drug ID
D08ZZJ
Former ID
DNC012487
Drug Name
R-87027
Drug Type
Small molecular drug
Indication Discovery agent Investigative [534775]
Formula
C16H20ClN3S
Canonical SMILES
CCC(=CCN1CC2=C(C=CC3=C2N(CC1C)C(=S)N3)Cl)CC
InChI
1S/C18H24ClN3S/c1-4-13(5-2)8-9-21-11-14-15(19)6-7-16-17(14)22(10-12(21)3)18(23)20-16/h6-8,12H,4-5,9-11H2,1-3H3,(H,20,23)/t12-/m0/s1
InChIKey
PJGGXOOMJFDSQO-LBPRGKRZSA-N
PubChem Compound ID
3000323
Target and Pathway
Target(s) HIV-1 reverse transcriptase Target Info Inhibitor [534775]
References
Ref 534775J Med Chem. 1998 Dec 17;41(26):5272-86.Prediction of binding affinities for TIBO inhibitors of HIV-1 reverse transcriptase using Monte Carlo simulations in a linear response method.
Ref 534775J Med Chem. 1998 Dec 17;41(26):5272-86.Prediction of binding affinities for TIBO inhibitors of HIV-1 reverse transcriptase using Monte Carlo simulations in a linear response method.

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