Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D09XKC
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| Former ID |
DNC012511
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| Drug Name |
PT-113
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| Synonyms |
PT-113; AC1MHDJY; LY300046HCl Analog 2; CHEMBL317574; BDBM2118; N-[2-(2,6-Difluoro-3-(formamidomethyl)phenethyl)]-N'-[2-(5-bromopyridyl)]thiourea; N-[2-(2,6-Difluoro-3-(formamidomethyl)phenethyl)]-N-[2-(5-bromopyridyl)]thiourea; 3-[2-[(5-bromo-2-pyridyl)carbamothioylamino]ethyl]-2,4-difluoro-N-methyl-benzamide; 3-(2-{[(5-bromopyridin-2-yl)carbamothioyl]amino}ethyl)-2,4-difluoro-N-methylbenzamide
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C16H15BrF2N4OS
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| Canonical SMILES |
CNC(=O)C1=C(C(=C(C=C1)F)CCNC(=S)NC2=NC=C(C=C2)Br)F
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| 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)
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| InChIKey |
YHRQSPRSRROVMC-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Human immunodeficiency virus Reverse transcriptase (HIV RT) | Target Info | Inhibitor | [1] |
| References | Top | |||
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| REF 1 | Phenethylthiazolylthiourea (PETT) compounds as a new class of HIV-1 reverse transcriptase inhibitors. 2. Synthesis and further structure-activity r... J Med Chem. 1996 Oct 11;39(21):4261-74. | |||
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