Compound Synopsis
Compound Overview
Bioactivity Data Summary
Protein Affinity Profile
Cellline Sensitivity Profile

1253 - Overview - Compound Synopsis

Synonyms
17DARUNAVIR
DarunavirMC-114
PrezistaTMC 114
TMC-114UIC-940T
Molecular Formula
C27H37N3O7S
InChI
InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1
Smiles
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1
Cross References
UniChem488491
canSAR1253
PDBe (Protein Data Bank Europe)17
ChEMBLCHEMBL1323
BindingDB8125
Commercially Available
Yes
Protein Targets


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 547.2352215242.375341075No


Compounds with the same scaffold


Image of compound ID: 1253
Murko Scaffold Family: 264 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12





Compound Lineages


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