NETARSUDIL

Search structure
Synonyms:
Status: Approved (2017)
Entry Type: Small molecule
Molecule Category: Parent
ATC: S01EX05
UNII: W6I5QDT7QI

Structure
InChI Key APPRZRMVUBRYNF-ZTDHTWSHSA-N
Smile Cc1ccc(C(=O)OCC2=CCC([C@@H](CN)C(=O)Nc3ccc4cnccc4c3)C=C2)c(C)c1
InChI
InChI=1S/C28H29N3O3/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/h3-6,8-14,16,21,26H,7,15,17,29H2,1-2H3,(H,31,32)/t21?,26-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H27N3O3
Molecular Weight 453.54
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

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase DMPK family AGC protein kinase ROCK subfamily
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Indications

Mesh Heading Maximum Phase Mesh ID Reference
Fuchs' Endothelial Dystrophy 3 D005642 ClinicalTrials
Corneal Edema 2 D015715 ClinicalTrials
Glaucoma, Open-Angle 0 D005902 ClinicalTrials

Related Entries

Salt

Cross References

Resources Reference
CAS NUMBER 1254032-66-0
ChEMBL CHEMBL4594250
DrugCentral 5269
FDA SRS W6I5QDT7QI
Guide to Pharmacology 9322
PubChem 66599893
SureChEMBL SCHEMBL16036278
ZINC ZINC000113149554
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