Bioactive Compound Details

BioIDbio3359
NameTELAPREVIR
ChEMBL IDCHEMBL231813
Molecular FormulaC36H53N7O6
Molecular Weight679.86
Molecular Weight (Monoisotopic)679.4057
TypeProtein
Max PhasePhase 4
Target IDTar18
Target NameSerine/threonine-protein kinase cot (COT)
SynonymsINCIVEK|Incivo|LY 570310|LY-570310|MP 424|MP-424|TELAPREVIR|VRT 111950|VRT-111950|VX 950|VX-950
SmilesCCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1
InchiInChI=1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25-,27-,28-,30+/m0/s1
Inchi KeyBBAWEDCPNXPBQM-GDEBMMAJSA-N
Molecular SpeciesNEUTRAL
Targets115.0
Bioactivities676.0
Np Likeness Score-0.28
Records Key['35', 'Telaprevir', 'Telaprevir', '2', 'Incivek', 'VX-950', 'Telaprevir, VX-920', 'VX-950', 'VX-950, telaprevir', 'VR-950', 'Telaprevir', 'telaprevir, (VX-950)', '1, Telaprevir', 'VX-950', 'VX-950', 'VX-950', '1', 'Telaprevir', 'VX-950', 'Telaprevir', 'TELAPREVIR', 'Telaprevir', 'Telaprevir', '1, VX-950', 'TELAPREVIR', 'Incivek', 'telaprevir', 'VX-950, Incivek', 'Telaprevir脢', 'TELAPREVIR', 'Telaprevir (VX-950)', 'VX-950', 'Telaprevir', 'MMV1580494', '12', 'telaprevir', 'TELAPREVIR', 'VX-950', 'Telaprevir', 'VX-950', 'Telaprevir', 'VX-950', '112', 'VX-950', 'VX-950', 'telaprevir', 'Telaprevir', 'Telaprevir (VX-950)', '2, Incivek', '1, VX-950', 'VX-950', 'TELAPREVIR', 'Telaprevir', 'VX-950', 'TELAPREVIR (VX-950)', 'VX-950', 'Telaprevir', 'TELAPREVIR', 'TELAPREVIR', 'Telaprevir脗', 'Telaprevir', 'VX-950', 'Telaprevir (VX-950)', 'COVC-2284039989', 'Telaprevir', 'Telaprevir', 'Telaprevir', 'Telaprevir', 'VX-950; HY-10235', 'Telaprevir', '54', 'Telaprevir', 'telaprevir', 'TELAPREVIR']
Records Name['Telaprevir', 'Telaprevir', 'Telaprevir', 'telaprevir', 'Telaprevir', '(1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide', 'Telaprevir', '(1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide', '(1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-6-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)-octahydrocyclopenta[c]pyrrole-1-carboxamide', '(1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-(1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide', 'Telaprevir', '(1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-6-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)-octahydrocyclopenta[c]pyrrole-1-carboxamide', '(1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-3-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)-octahydrocyclopenta[c]pyrrole-1-carboxamide', 'VX-950', '(1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide', '(1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide', 'Telaprevir', 'Telaprevir', 'Telaprevir', 'Telaprevir', 'TELAPREVIR', 'Telaprevir', 'Telaprevir', 'Telaprevir', 'TELAPREVIR', 'Telaprevir', 'Telaprevir', 'Telaprevir', 'Telaprevir脢', 'TELAPREVIR', 'Telaprevir (VX-950)', '(1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide', 'Telaprevir', 'C0088747', 'telaprevir', 'telaprevir', 'TELAPREVIR', 'telaprevir', 'Telaprevir', 'telaprevir', 'Telaprevir', 'telaprevir', 'Telaprevir', 'telaprevir', '(1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide', 'telaprevir', 'Telaprevir', 'Telaprevir (VX-950)', 'Telaprevir', 'telaprevir', 'Telaprevir', 'TELAPREVIR', 'Telaprevir', 'Tel
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure