netarsudil

Ligand id: 9322

Name: netarsudil

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 94.31
Molecular weight 453.21
XLogP 6.41
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[4-[(2S)-3-amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl]phenyl]methyl 2,4-dimethylbenzoate
International Nonproprietary Names
INN number INN
10160 netarsudil
Synonyms
AR-11324 | AR11324 | ester 60 [PMID: 27072905] | Rhopressa (proposed trade name)
Database Links
CAS Registry No. 1254032-66-0 (source: WHO INN record)
PubChem CID 66599893
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Comments
Netarsudil (AR-11324) is a combination Rho-associated protein kinase (Rho or ROCK) and norepinephrine transporter (NET) inhibitor [1] in development for glaucoma or ocular hypertension. Netarsudil is the S-enantiomeric, 2,4-dimethyl benzoate ester of compound 29 (Ki 0.2nM) described in [1]. Esterification improves bioavailability and corneal penetrating ability of the compound.