Drug Information

Drug General Information
Drug ID
D09XKC
Former ID
DNC012511
Drug Name
PT-113
Drug Type
Small molecular drug
Indication Discovery agent Investigative [534243]
Structure
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2D MOL

3D MOL
Formula
C16H15BrF2N4OS
Canonical SMILES
CNC(=O)C1=C(C(=C(C=C1)F)CCNC(=S)NC2=NC=C(C=C2)Br)F
InChI
1S/C16H15BrF2N4OS/c1-20-15(24)11-3-4-12(18)10(14(11)19)6-7-21-16(25)23-13-5-2-9(17)8-22-13/h2-5,8H,6-7H2,1H3,(H,20,24)(H2,21,22,23,25)
InChIKey
YHRQSPRSRROVMC-UHFFFAOYSA-N
PubChem Compound ID
3001079
Target and Pathway
Target(s) HIV-1 reverse transcriptase Target Info Inhibitor [534243]
References
Ref 534243J Med Chem. 1996 Oct 11;39(21):4261-74.Phenethylthiazolylthiourea (PETT) compounds as a new class of HIV-1 reverse transcriptase inhibitors. 2. Synthesis and further structure-activity relationship studies of PETT analogs.
Ref 534243J Med Chem. 1996 Oct 11;39(21):4261-74.Phenethylthiazolylthiourea (PETT) compounds as a new class of HIV-1 reverse transcriptase inhibitors. 2. Synthesis and further structure-activity relationship studies of PETT analogs.

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