GSK-1059615

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 07YMO87363

Structure
InChI Key QDITZBLZQQZVEE-YBEGLDIGSA-N
Smile O=C1NC(=O)/C(=C/c2ccc3nccc(-c4ccncc4)c3c2)S1
InChI
InChI=1S/C18H11N3O2S/c22-17-16(24-18(23)21-17)10-11-1-2-15-14(9-11)13(5-8-20-15)12-3-6-19-7-4-12/h1-10H,(H,21,22,23)/b16-10-

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H11N3O2S
Molecular Weight 333.37
AlogP 3.62
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 71.95
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR PI3-kinase class I inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase MSK subfamily
- - 499 - -
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase PIKK family Atypical protein kinase FRAP subfamily
- 12 - - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase PIM family
- - 205 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase RSKb family CAMK protein kinase MSKb subfamily
- - 499 - -
Enzyme Kinase Protein Kinase CK1 protein kinase group CK1 protein kinase CK1 family CK1 protein kinase CK1-g
- - 2861 - -
Enzyme Kinase Protein Kinase CK1 protein kinase group CK1 protein kinase CK1 family
- - 17463 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CLK family
- - 0.4 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase DYRK family CMGC protein kinase Dyrk1 subfamily
- - 314 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase CK2 family
- - 17 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NAK family
- - 35 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NEK family Other protein kinase Nek1
- - - - 77
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NEK family Other protein kinase Nek11
- - - - 72
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NEK family
- - - - 0
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase SLK subfamily
- - 317 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase TAO subfamily
- - 2 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE7 family
- - 18457 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase IRAK family
- - 8673 - -
Enzyme Transferase
- 0.4-2 331 - 4.359
Enzyme
- 0.4-2 0.4 - 0
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -22.47--9.45
Unclassified protein
- - 78 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3544966
DrugBank DB11962
EPA CompTox DTXSID00242004
FDA SRS 07YMO87363
Guide to Pharmacology 9826
PubChem 23582824
SureChEMBL SCHEMBL1805557
ZINC ZINC000043176569
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