NETARSUDIL DIMESYLATE

Search structure
Trade Names:
Synonyms:
Status: Approved (2017)
Entry Type: Small molecule
Molecule Category: Salt
UNII: VL756B1K0U
Parent Compound: NETARSUDIL

Structure
InChI Key QQDRLKRHJOAQDC-FBHGDYMESA-N
Smile CS(=O)(=O)O.CS(=O)(=O)O.Cc1ccc(C(=O)OCc2ccc([C@@H](CN)C(=O)Nc3ccc4cnccc4c3)cc2)c(C)c1
InChI
InChI=1S/C28H27N3O3.2CH4O3S/c1-18-3-10-25(19(2)13-18)28(33)34-17-20-4-6-21(7-5-20)26(15-29)27(32)31-24-9-8-23-16-30-12-11-22(23)14-24;2*1-5(2,3)4/h3-14,16,26H,15,17,29H2,1-2H3,(H,31,32);2*1H3,(H,2,3,4)/t26-;;/m1../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H35N3O9S2
Molecular Weight 645.76
AlogP 4.89
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 94.31
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 34.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Rho-associated protein kinase inhibitor FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Parent
Mixture

Cross References

Resources Reference
ChEMBL CHEMBL4594251
FDA SRS VL756B1K0U
SureChEMBL SCHEMBL16037872
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