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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 of PHA-690509

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
Molecular Formula C17H21N3O2S
Molecular Weight 331.433
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

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

Originator

Approval Year

Unknown
149124
Targets

Targets

Primary TargetPharmacologyConditionPotency
Inhibitor
8504
 160.0 nM [IC50]
Inhibitor
8504
 31.0 nM [IC50]
Inhibitor
8504
 90.0 nM [IC50]
Inhibitor
8504
 141.0 nM [IC50]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Basic research
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
Identification of small-molecule inhibitors of Zika virus infection and induced neural cell death via a drug repurposing screen.
2016-10
A genomic approach to predict synergistic combinations for breast cancer treatment.
2013-02
Discovery of drug mode of action and drug repositioning from transcriptional responses.
2010-08-17
Patents

Patents

WO2013055780A1
1

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)
Substance Class Chemical
Created
by admin
on Tue Apr 01 16:39:11 GMT 2025
Edited
by admin
on Tue Apr 01 16:39:11 GMT 2025
Record UNII
R9BW3AT9J5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHA-690509
Code English
PHA 690509
Preferred Name 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
(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 Tue Apr 01 16:39:11 GMT 2025 , Edited by admin on Tue Apr 01 16:39:11 GMT 2025
PRIMARY
FDA UNII
R9BW3AT9J5
Created by admin on Tue Apr 01 16:39:11 GMT 2025 , Edited by admin on Tue Apr 01 16:39:11 GMT 2025
PRIMARY
CAS
492445-28-0
Created by admin on Tue Apr 01 16:39:11 GMT 2025 , Edited by admin on Tue Apr 01 16:39:11 GMT 2025
PRIMARY
MANUFACTURER PRODUCT INFORMATION
PHA-690509
Created by admin on Tue Apr 01 16:39:11 GMT 2025 , Edited by admin on Tue Apr 01 16:39:11 GMT 2025
PRIMARY PHA-690509 is a ATP-competitive CDK inhibitor.
Related Record Type Details
Structure of PHA-690509
ACTIVE MOIETY
NIH
NCATS
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