AS-604850 (PD005127, SRLVNYDXMUGOFI-YWEYNIOJSA-N)

General

Preferred name

AS-604850

Synonyms

AS 604850

AS604850

(5E)-5-[(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)METHYLENE]-1,3-THIAZOLIDINE-2,4-DIONE

PI 3-Kg inhibitor II

P&D ID

PD005127

CAS

648449-76-7

Tags

available

drug candidate

Drug indication

Discovery agent

Drug Status

experimental

Structure

PD005127

AS-604850

RO5

284.99

HBA

HBD

LOGP

2.33

Structure formats

SMILES

O=C1NC(=O)/C(=C/c2ccc3c(c2)OC(F)(F)O3)S1

InChI

InChI=1S/C11H5F2NO4S/c12-11(13)17-6-2-1-5(3-7(6)18-11)4-8-9(15)14-10(16)19-8/h1-4H,(H,14,15,16)/b8-4-

InChIkey

SRLVNYDXMUGOFI-YWEYNIOJSA-N

MOL

AS-604850 RDKit 2D 19 21 0 0 0 0 0 0 0 0999 V2000 6.5218 -0.9664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3083 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3083 -3.3481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8817 -3.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4182 -5.2382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9672 0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1240 1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5912 1.4918 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.5875 3.2302 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7537 2.4138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8817 -1.3846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 18 1 0 6 19 1 0 19 2 1 0 13 8 1 0 18 11 1 0 M END > <ID> PD005127 > <Name> AS-604850

Protein targets

6.6

PIK3CG Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform inhibitor

BIOCHEM 17.8x

5.35

PIK3CA Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform inhibitor

5.34

RAB9A Ras-related protein Rab-9A

5.09

NPC1 NPC intracellular cholesterol transporter 1

Target pathways

Activated NTRK2 signals through PI3K

R-HSA-9028335

PIK3CA

Activated NTRK3 signals through PI3K

R-HSA-9603381

PIK3CA

CD28 dependent PI3K/Akt signaling

R-HSA-389357

PIK3CA

PIK3CG

Co-stimulation by ICOS

R-HSA-9927354

PIK3CA

PIK3CG

Constitutive Signaling by Aberrant PI3K in Cancer

R-HSA-2219530

PIK3CA

PIK3CG

Constitutive Signaling by EGFRvIII

R-HSA-5637810

PIK3CA

Constitutive Signaling by Ligand-Responsive EGFR Cancer Variants

R-HSA-1236382

PIK3CA

DAP12 signaling

R-HSA-2424491

PIK3CA

Downstream signal transduction

R-HSA-186763

PIK3CA

Downstream TCR signaling

R-HSA-202424

PIK3CA

Erythropoietin activates Phosphoinositide-3-kinase (PI3K)

R-HSA-9027276

PIK3CA

PIK3CG

Extra-nuclear estrogen signaling

R-HSA-9009391

PIK3CA

FLT3 Signaling

R-HSA-9607240

PIK3CA

G alpha (q) signalling events

R-HSA-416476

PIK3CA

G beta:gamma signalling through PI3Kgamma

R-HSA-392451

PIK3CG

GAB1 signalosome

R-HSA-180292

PIK3CA

GPVI-mediated activation cascade

R-HSA-114604

PIK3CA

PIK3CG

High laminar flow shear stress activates signaling by PIEZO1 and PECAM1:CDH5:KDR in endothelial cells

R-HSA-9856530

PIK3CA

Interleukin receptor SHC signaling

R-HSA-912526

PIK3CA

Interleukin-3, Interleukin-5 and GM-CSF signaling

R-HSA-512988

PIK3CA

IRS-mediated signalling

R-HSA-112399

PIK3CA

LDL clearance

R-HSA-8964038

NPC1

MET activates PI3K/AKT signaling

R-HSA-8851907

PIK3CA

Nephrin family interactions

R-HSA-373753

PIK3CA

PI-3K cascade:FGFR1

R-HSA-5654689

PIK3CA

PI-3K cascade:FGFR2

R-HSA-5654695

PIK3CA

PI-3K cascade:FGFR3

R-HSA-5654710

PIK3CA

PI-3K cascade:FGFR4

R-HSA-5654720

PIK3CA

PI3K Cascade

R-HSA-109704

PIK3CA

PI3K events in ERBB2 signaling

R-HSA-1963642

PIK3CA

PI3K events in ERBB4 signaling

R-HSA-1250342

PIK3CA

PI3K/AKT activation

R-HSA-198203

PIK3CA

PI5P, PP2A and IER3 Regulate PI3K/AKT Signaling

R-HSA-6811558

PIK3CA

PIK3CG

PIP3 activates AKT signaling

R-HSA-1257604

PIK3CA

PIK3CG

RAB GEFs exchange GTP for GDP on RABs

R-HSA-8876198

RAB9A

RAB geranylgeranylation

R-HSA-8873719

RAB9A

RAC1 GTPase cycle

R-HSA-9013149

PIK3CA

RAC2 GTPase cycle

R-HSA-9013404

PIK3CA

RAF/MAP kinase cascade

R-HSA-5673001

PIK3CA

Regulation of signaling by CBL

R-HSA-912631

PIK3CA

RET signaling

R-HSA-8853659

PIK3CA

Retrograde transport at the Trans-Golgi-Network

R-HSA-6811440

RAB9A

RHOBTB3 ATPase cycle

R-HSA-9706019

RAB9A

Role of LAT2/NTAL/LAB on calcium mobilization

R-HSA-2730905

PIK3CA

Role of phospholipids in phagocytosis

R-HSA-2029485

PIK3CA

Signaling by ALK

R-HSA-201556

PIK3CA

Signaling by ALK fusions and activated point mutants

R-HSA-9725370

PIK3CA

Signaling by CSF1 (M-CSF) in myeloid cells

R-HSA-9680350

PIK3CA

Signaling by cytosolic FGFR1 fusion mutants

R-HSA-1839117

PIK3CA

Signaling by ERBB2 ECD mutants

R-HSA-9665348

PIK3CA

Signaling by ERBB2 KD Mutants

R-HSA-9664565

PIK3CA

Signaling by FGFR1 in disease

R-HSA-5655302

PIK3CA

Signaling by FGFR2 in disease

R-HSA-5655253

PIK3CA

Signaling by FGFR3 in disease

R-HSA-5655332

PIK3CA

Signaling by FGFR4 in disease

R-HSA-5655291

PIK3CA

Signaling by FLT3 fusion proteins

R-HSA-9703465

PIK3CA

Signaling by FLT3 ITD and TKD mutants

R-HSA-9703648

PIK3CA

Signaling by LTK

R-HSA-9842663

PIK3CA

Signaling by LTK in cancer

R-HSA-9842640

PIK3CA

Signaling by PDGFRA extracellular domain mutants

R-HSA-9673770

PIK3CA

Signaling by PDGFRA transmembrane, juxtamembrane and kinase domain mutants

R-HSA-9673767

PIK3CA

Signaling by phosphorylated juxtamembrane, extracellular and kinase domain KIT mutants

R-HSA-9670439

PIK3CA

Signaling by SCF-KIT

R-HSA-1433557

PIK3CA

Synthesis of PIPs at the plasma membrane

R-HSA-1660499

PIK3CA

PIK3CG

Tie2 Signaling

R-HSA-210993

PIK3CA

VEGFA-VEGFR2 Pathway

R-HSA-4420097

PIK3CA

References

2005 Blockade of PI3Kgamma suppresses joint inflammation and damage in mouse models of rheumatoid arthritis.

Camps M, Rückle T et al. Nat. Med.

PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease: Purified N370S Glucocerebrosidase. (Class of assay: confirmatory) [Related pubchem assays: 2101 ] AID 2597