NETARSUDIL

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H27N3O3
Molecular Weight	453.5323
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of NETARSUDIL

Structure Search

SMILES

CC1=CC=C(C(=O)OCC2=CC=C(C=C2)[C@@H](CN)C(=O)NC3=CC4=C(C=C3)C=NC=C4)C(C)=C1

InChI

InChIKey=OURRXQUGYQRVML-AREMUKBSSA-N

InChI=1S/C28H27N3O3/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/h3-14,16,26H,15,17,29H2,1-2H3,(H,31,32)/t26-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H27N3O3
Molecular Weight	453.5323
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:26:54 UTC 2023` Edited by `admin` on `Sat Dec 16 01:26:54 UTC 2023`
Record UNII	W6I5QDT7QI
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NETARSUDIL

Official Name

English

AR-11324 FREE BASE

Code

English

NETARSUDIL [USAN]

Common Name

English

Netarsudil [WHO-DD]

Common Name

English

NETARSUDIL [MI]

Common Name

English

netarsudil [INN]

Common Name

English

(4-((1S)-1-(AMINOMETHYL)-2-(ISOQUINOLIN-6-YLAMINO)-2-OXOETHYL)PHENYL)METHYL 2,4- DIMETHYLBENZOATE

Systematic Name

English

BENZOIC ACID, 2,4-DIMETHYL-, (4-((1S)-1-(AMINOMETHYL)-2-(6-ISOQUINOLINYLAMINO)-2-OXOETHYL)PHENYL)METHYL ESTER

Common Name

English

Classification Tree Code System Code

NDF-RT

N0000193788

Created by admin on Sat Dec 16 01:26:54 UTC 2023 , Edited by admin on Sat Dec 16 01:26:54 UTC 2023

WHO-ATC

S01EX05

Created by admin on Sat Dec 16 01:26:54 UTC 2023 , Edited by admin on Sat Dec 16 01:26:54 UTC 2023

Code System Code Type Description

DRUG CENTRAL

5269

Created by admin on Sat Dec 16 01:26:54 UTC 2023 , Edited by admin on Sat Dec 16 01:26:54 UTC 2023

PRIMARY

CAS

1254032-66-0

Created by admin on Sat Dec 16 01:26:54 UTC 2023 , Edited by admin on Sat Dec 16 01:26:54 UTC 2023

PRIMARY

DAILYMED

W6I5QDT7QI

Created by admin on Sat Dec 16 01:26:54 UTC 2023 , Edited by admin on Sat Dec 16 01:26:54 UTC 2023

PRIMARY

EPA CompTox

DTXSID001027774

Created by admin on Sat Dec 16 01:26:54 UTC 2023 , Edited by admin on Sat Dec 16 01:26:54 UTC 2023

PRIMARY

FDA UNII

W6I5QDT7QI

Created by admin on Sat Dec 16 01:26:54 UTC 2023 , Edited by admin on Sat Dec 16 01:26:54 UTC 2023

PRIMARY

RXCUI

1992864

Created by admin on Sat Dec 16 01:26:54 UTC 2023 , Edited by admin on Sat Dec 16 01:26:54 UTC 2023

PRIMARY

ChEMBL

CHEMBL3545127

Created by admin on Sat Dec 16 01:26:54 UTC 2023 , Edited by admin on Sat Dec 16 01:26:54 UTC 2023

PRIMARY

PUBCHEM

66599893

Created by admin on Sat Dec 16 01:26:54 UTC 2023 , Edited by admin on Sat Dec 16 01:26:54 UTC 2023

PRIMARY

USAN

BC-102

Created by admin on Sat Dec 16 01:26:54 UTC 2023 , Edited by admin on Sat Dec 16 01:26:54 UTC 2023

PRIMARY

LACTMED

Netarsudil

Created by admin on Sat Dec 16 01:26:54 UTC 2023 , Edited by admin on Sat Dec 16 01:26:54 UTC 2023

PRIMARY

NCI_THESAURUS

C170213

Created by admin on Sat Dec 16 01:26:54 UTC 2023 , Edited by admin on Sat Dec 16 01:26:54 UTC 2023

PRIMARY

SMS_ID

100000174704

Created by admin on Sat Dec 16 01:26:54 UTC 2023 , Edited by admin on Sat Dec 16 01:26:54 UTC 2023

PRIMARY

WIKIPEDIA

Netarsudil

Created by admin on Sat Dec 16 01:26:54 UTC 2023 , Edited by admin on Sat Dec 16 01:26:54 UTC 2023

PRIMARY

MERCK INDEX

m12058

Created by admin on Sat Dec 16 01:26:54 UTC 2023 , Edited by admin on Sat Dec 16 01:26:54 UTC 2023

PRIMARY

DRUG BANK

DB13931

Created by admin on Sat Dec 16 01:26:54 UTC 2023 , Edited by admin on Sat Dec 16 01:26:54 UTC 2023

PRIMARY

INN

10160

Created by admin on Sat Dec 16 01:26:54 UTC 2023 , Edited by admin on Sat Dec 16 01:26:54 UTC 2023

PRIMARY

Related Record Type Details


					SEV29N8JND

POTASSIUM VOLTAGE-GATED CHANNEL SUBFAMILY H MEMBER 2

OFF-TARGET->INHIBITOR

Qualification:

IC50

Amount:


					SE030PF6VE

NETARSUDIL DIHYDROCHLORIDE

SALT/SOLVATE -> PARENT


					HN86OLH1NW

SODIUM-DEPENDENT NORADRENALINE TRANSPORTER

TARGET -> INHIBITOR


					0JQ7O17JE9

RHO-ASSOCIATED PROTEIN KINASE 2

TARGET -> INHIBITOR

Qualification:

Ki

Amount:


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					VL756B1K0U

NETARSUDIL MESYLATE

SALT/SOLVATE -> PARENT


					DK566K8T76

RHO-ASSOCIATED PROTEIN KINASE 1

TARGET -> INHIBITOR

Qualification:

Ki

Amount:

Related Record Type Details


					4MVW7F3BCT

AR-13503

METABOLITE ACTIVE -> PARENT

Comments:

5 times more active than NETARSUDIL

Interaction Type:

MAJOR

Related Record Type Details


					4MVW7F3BCT

AR-13503

ACTIVE MOIETY