compound 2 [PMID: 26061392]

Ligand id: 8548

Name: compound 2 [PMID: 26061392]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 12
Topological polar surface area 153.72
Molecular weight 684.13
XLogP 6.12
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Is prodrug? Yes
Active form vemurafenib
IUPAC Name
N‐{3‐[5‐(4‐chlorophenyl)‐1‐[(4,5‐dimethoxy‐2‐nitrophenyl)methyl]‐1H‐pyrrolo[2,3‐b]pyridine‐3‐carbonyl]‐2,4‐difluorophenyl}propane‐1‐sulfonamide
Synonyms
caged vemurafenib prodrug
Database Links
PubChem CID 91827370
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Comments
This vemurafenib photo prodrug shows proof of concept in loss-of-function and light-dependent recovery of efficacy in kinase and cellular assays [1].