TIRBANIBULIN

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H29N3O3
Molecular Weight	431.5268
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TIRBANIBULIN

Structure Search

SMILES

O=C(CC1=NC=C(C=C1)C2=CC=C(OCCN3CCOCC3)C=C2)NCC4=CC=CC=C4

InChI

InChIKey=HUNGUWOZPQBXGX-UHFFFAOYSA-N

InChI=1S/C26H29N3O3/c30-26(28-19-21-4-2-1-3-5-21)18-24-9-6-23(20-27-24)22-7-10-25(11-8-22)32-17-14-29-12-15-31-16-13-29/h1-11,20H,12-19H2,(H,28,30)

HIDE SMILES / InChI

Molecular Formula	C26H29N3O3
Molecular Weight	431.5268
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:27:55 UTC 2023` Edited by `admin` on `Fri Dec 15 16:27:55 UTC 2023`
Record UNII	4V9848RS5G
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

TIRBANIBULIN

Official Name

English

KX2391

Code

English

KX-2-391

Code

English

KLISYRI

Brand Name

English

TIRBANIBULIN [ORANGE BOOK]

Common Name

English

Tirbanibulin [WHO-DD]

Common Name

English

2-PYRIDINEACETAMIDE, 5-(4-(2-(4-MORPHOLINYL)ETHOXY)PHENYL)-N-(PHENYLMETHYL)-

Systematic Name

English

N-BENZYL-2-(5-(4-(2-MORPHOLIN-4-YLETHOXY)PHENYL)PYRIDIN-2-YL)ACETAMIDE

Systematic Name

English

KX01

Code

English

tirbanibulin [INN]

Common Name

English

KX-01

Code

English

TIRBANIBULIN [USAN]

Common Name

English

KX-2391

Code

English

KX2-391

Code

English

Code System Code Type Description

FDA UNII

4V9848RS5G

Created by admin on Fri Dec 15 16:27:55 UTC 2023 , Edited by admin on Fri Dec 15 16:27:55 UTC 2023

PRIMARY

USAN

GH-126

Created by admin on Fri Dec 15 16:27:55 UTC 2023 , Edited by admin on Fri Dec 15 16:27:55 UTC 2023

PRIMARY

ChEMBL

CHEMBL571546

Created by admin on Fri Dec 15 16:27:55 UTC 2023 , Edited by admin on Fri Dec 15 16:27:55 UTC 2023

PRIMARY

DRUG BANK

DB06137

Created by admin on Fri Dec 15 16:27:55 UTC 2023 , Edited by admin on Fri Dec 15 16:27:55 UTC 2023

PRIMARY

DAILYMED

4V9848RS5G

Created by admin on Fri Dec 15 16:27:55 UTC 2023 , Edited by admin on Fri Dec 15 16:27:55 UTC 2023

PRIMARY

WIKIPEDIA

Tirbanibulin

Created by admin on Fri Dec 15 16:27:55 UTC 2023 , Edited by admin on Fri Dec 15 16:27:55 UTC 2023

PRIMARY

RXCUI

2471078

Created by admin on Fri Dec 15 16:27:55 UTC 2023 , Edited by admin on Fri Dec 15 16:27:55 UTC 2023

PRIMARY

EPA CompTox

DTXSID30237862

Created by admin on Fri Dec 15 16:27:55 UTC 2023 , Edited by admin on Fri Dec 15 16:27:55 UTC 2023

PRIMARY

NCI_THESAURUS

C74077

Created by admin on Fri Dec 15 16:27:55 UTC 2023 , Edited by admin on Fri Dec 15 16:27:55 UTC 2023

PRIMARY

PUBCHEM

23635314

Created by admin on Fri Dec 15 16:27:55 UTC 2023 , Edited by admin on Fri Dec 15 16:27:55 UTC 2023

PRIMARY

CAS

897016-82-9

Created by admin on Fri Dec 15 16:27:55 UTC 2023 , Edited by admin on Fri Dec 15 16:27:55 UTC 2023

PRIMARY

INN

10864

Created by admin on Fri Dec 15 16:27:55 UTC 2023 , Edited by admin on Fri Dec 15 16:27:55 UTC 2023

PRIMARY

SMS_ID

100000183609

Created by admin on Fri Dec 15 16:27:55 UTC 2023 , Edited by admin on Fri Dec 15 16:27:55 UTC 2023

PRIMARY

Related Record Type Details


					6NP3XSMIP3

MULTIDRUG AND TOXIN EXTRUSION PROTEIN 1

TRANSPORTER -> INHIBITOR

Comments:

The results suggest that KLISYRI has no clinically meaningful effect on the PK of drugs mediated by MATE1

Qualification:

IC50

Amount:


					66DDF797LP

OATP-8

TRANSPORTER -> INHIBITOR

Comments:

The results suggest that KLISYRI has no clinically meaningful effect on the PK of drugs mediated by OATP1B3

Qualification:

IC50

Amount:


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Comments:

Plasma protein binding of tirbanibulin is 88% and is independent of concentrations in the range of 0.01 to 10 μg/mL.

Interaction Type:

BINDING

Amount:


					L0423Z5LDW

CYTOCHROME P450 2C8

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MINOR


					4V0HB10Q7P

TUBULIN ALPHA-1A CHAIN

TARGET->INHIBITOR OF AGGREGATION

Amount:


					7092WS88L7

PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC

TARGET -> INHIBITOR


					ONY583280Z

OCT-1

TRANSPORTER -> INHIBITOR

Comments:

The results suggest that KLISYRI has no clinically meaningful effect on the PK of drugs mediated by OCT1

Qualification:

IC50

Amount:


					482M00274D

OCT-2

TRANSPORTER -> INHIBITOR

Comments:

The results suggest that KLISYRI has no clinically meaningful effect on the PK of drugs mediated by OCT2

Qualification:

IC50

Amount:


					B46KUN2O9L

MATE-2

TRANSPORTER -> INHIBITOR

Comments:

The results suggest that KLISYRI has no clinically meaningful effect on the PK of drugs mediated by MATE2-K

Qualification:

IC50

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MAJOR


					AIN96D6SGL

OATP1B1

TRANSPORTER -> INHIBITOR

Comments:

The results suggest that KLISYRI has no clinically meaningful effect on the PK of drugs mediated by OATP1B1

Qualification:

IC50

Amount:

Related Record Type Details


					4V9848RS5G

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Tmax	PHARMACOKINETIC