BX-517

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H14N4O2
Molecular Weight	282.2973
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C\C(C1=CC=CN1)=C2\C(=O)NC3=CC=C(NC(N)=O)C=C23

InChI

InChIKey=DFURSNCTQGJRRX-JYRVWZFOSA-N

InChI=1S/C15H14N4O2/c1-8(11-3-2-6-17-11)13-10-7-9(18-15(16)21)4-5-12(10)19-14(13)20/h2-7,17H,1H3,(H,19,20)(H3,16,18,21)/b13-8-

HIDE SMILES / InChI

Molecular Formula	C15H14N4O2
Molecular Weight	282.2973
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/17531483 | https://www.ncbi.nlm.nih.gov/pubmed/17544272

BX-517 is a nanomolar inhibitor of phosphoinositide-dependent kinase-1 (PDK-1), developed by Berlex Biosciences. BX-517 blocked activation of Akt in tumor cells. The compound was not developed further due to solubility an bioavailability issues.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
3-phosphoinositide-dependent protein kinase 1 4 Target ID: O15530 Gene ID: 5170.0 Gene Symbol: PDPK1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/17531483	Inhibitor 8504		6.0 nM [IC50]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Cancer 609 Sources: https://www.ncbi.nlm.nih.gov/pubmed/17531483	Primary		Basic research	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 2: optimization of BX-517.	2007-07-15	17544272
Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: design, synthesis and biological activity.	2007-07-15	17531483

Patents

Sample Use Guides

In Vivo Use Guide

In a preliminary PK study in rats, bioavailability was < 1% (at dose 10 mg/kg p.o.) and t1/2 24 min.

Route of Administration: Other

In Vitro Use Guide

PDK1 inhibitory activity was measured directly using PDK1, a peptide substrate, 33PATP, and compound followed by capture on P81 phospho-cellulose paper and detection by phorphorimaging.

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:48:48 GMT 2025` Edited by `admin` on `Mon Mar 31 21:48:48 GMT 2025`
Record UNII	SYV8VN8W5K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-UREIDO-3-(1-(PYRROL-2-YL)ETHYLIDENE)INDOLIN-2-ONE

Preferred Name

English

BX-517

Common Name

English

UREA, N-(2,3-DIHYDRO-2-OXO-3-((3Z)-1-(1H-PYRROL-2-YL)ETHYLIDENE)-1H-INDOL-5-YL)-

Systematic Name

English

UREA, (2,3-DIHYDRO-2-OXO-3-(1-(1H-PYRROL-2-YL)ETHYLIDENE)-1H-INDOL-5-YL)-

Systematic Name

English

UREA, N-(2,3-DIHYDRO-2-OXO-3-(1-(1H-PYRROL-2-YL)ETHYLIDENE)-1H-INDOL-5-YL)-

Systematic Name

English

Code System Code Type Description

CAS

946843-63-6

Created by admin on Mon Mar 31 21:48:48 GMT 2025 , Edited by admin on Mon Mar 31 21:48:48 GMT 2025

PRIMARY

FDA UNII

SYV8VN8W5K

Created by admin on Mon Mar 31 21:48:48 GMT 2025 , Edited by admin on Mon Mar 31 21:48:48 GMT 2025

PRIMARY

CAS

850717-64-5

Created by admin on Mon Mar 31 21:48:48 GMT 2025 , Edited by admin on Mon Mar 31 21:48:48 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

PUBCHEM

11161844

Created by admin on Mon Mar 31 21:48:48 GMT 2025 , Edited by admin on Mon Mar 31 21:48:48 GMT 2025

PRIMARY

Related Record Type Details


					SYV8VN8W5K

BX-517

ACTIVE MOIETY

Details

SMILES

InChI

DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/17531483 | https://www.ncbi.nlm.nih.gov/pubmed/17544272

Originator

Approval Year

Targets

Conditions

Approved Use

PubMed

Patents

Sample Use Guides

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/17531483 | https://www.ncbi.nlm.nih.gov/pubmed/17544272