PHA-690509

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H21N3O2S
Molecular Weight	331.433
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C1=CN=C(NC(=O)[C@@H](C)C2=CC=C(NC(C)=O)C=C2)S1

InChI

InChIKey=NFSKEXQRNDSSAN-NSHDSACASA-N

InChI=1S/C17H21N3O2S/c1-10(2)15-9-18-17(23-15)20-16(22)11(3)13-5-7-14(8-6-13)19-12(4)21/h5-11H,1-4H3,(H,19,21)(H,18,20,22)/t11-/m0/s1

HIDE SMILES / InChI

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/20679242 | https://www.ncbi.nlm.nih.gov/pubmed/27571349

PHA-690509 is an ATP-competitive CDK inhibitor developed at Nerviano Medical Sciences. PHA-690509 demonstrates antiviral activity against ZIKV.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Potency
Cyclin-dependent kinase 1 27 Target ID: CHEMBL308 Sources: https://www.ncbi.nlm.nih.gov/pubmed/20679242	Inhibitor 8297	160.0 nM [IC50]
Cyclin-dependent kinase 2 22 Target ID: CHEMBL301 Sources: https://www.ncbi.nlm.nih.gov/pubmed/20679242	Inhibitor 8297	31.0 nM [IC50]
Cyclin-dependent kinase 5 8 Target ID: CHEMBL4036 Sources: https://www.ncbi.nlm.nih.gov/pubmed/20679242	Inhibitor 8297	90.0 nM [IC50]
Cyclin-dependent kinase 9 19 Target ID: CHEMBL3116 Sources: https://www.ncbi.nlm.nih.gov/pubmed/20679242	Inhibitor 8297	141.0 nM [IC50]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Zika virus infection 1 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27571349	Primary		Basic research	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
Discovery of drug mode of action and drug repositioning from transcriptional responses.	2010 Aug 17	20679242
A genomic approach to predict synergistic combinations for breast cancer treatment.	2013 Feb	22083351
Identification of small-molecule inhibitors of Zika virus infection and induced neural cell death via a drug repurposing screen.	2016 Oct	27571349

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

transcriptional response to 3 μM PHA-690509 was studied in A2780 cell lines (human ovary adenocarcinoma)

Name

Type

Language

PHA-690509

Code

English

(.ALPHA.S)-4-(ACETYLAMINO)-.ALPHA.-METHYL-N-(5-(1-METHYLETHYL)-2-THIAZOLYL)BENZENEACETAMIDE

Systematic Name

English

BENZENEACETAMIDE, 4-(ACETYLAMINO)-.ALPHA.-METHYL-N-(5-(1-METHYLETHYL)-2-THIAZOLYL)-, (.ALPHA.S)-

Systematic Name

English

PHA 690509

Code

English

(2S)-2-(4-(ACETYLAMINO)PHENYL)-N-(5-ISOPROPYLTHIAZOL-2-YL)PROPANAMIDE

Systematic Name

English

(2S)-2-(4-ACETAMIDOPHENYL)-N-(5-ISOPROPYLTHIAZOL-2-YL)PROPANAMIDE

Systematic Name

English

Code System Code Type Description

PUBCHEM

9902100

Created by admin on Sat Dec 16 11:36:04 GMT 2023 , Edited by admin on Sat Dec 16 11:36:04 GMT 2023

PRIMARY

FDA UNII

R9BW3AT9J5

Created by admin on Sat Dec 16 11:36:04 GMT 2023 , Edited by admin on Sat Dec 16 11:36:04 GMT 2023

PRIMARY

CAS

492445-28-0

Created by admin on Sat Dec 16 11:36:04 GMT 2023 , Edited by admin on Sat Dec 16 11:36:04 GMT 2023

PRIMARY

MANUFACTURER PRODUCT INFORMATION

PHA-690509

Created by admin on Sat Dec 16 11:36:04 GMT 2023 , Edited by admin on Sat Dec 16 11:36:04 GMT 2023

PRIMARY

PHA-690509 is a ATP-competitive CDK inhibitor.

ACTIVE MOIETY


					R9BW3AT9J5

PHA-690509

Details

SMILES

InChI

DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/20679242 | https://www.ncbi.nlm.nih.gov/pubmed/27571349

Originator

Approval Year

Targets

Conditions

Approved Use

PubMed

Patents

Sample Use Guides

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/20679242 | https://www.ncbi.nlm.nih.gov/pubmed/27571349